9-[(1-methoxyindol-3-yl)methyl]-3,4,10,16,21-pentamethyl-6,18-bis(2-methylhexyl)-12,15-bis(2-methylpropyl)-3-prop-2-enyl-1-oxa-4,7,10,13,16,19-hexazacyclohenicosane-2,5,8,11,14,17,20-heptone

Systemtic Name: 9-[(1-methoxyindol-3-yl)methyl]-3,4,10,16,21-pentamethyl-6,18-bis(2-methylhexyl)-12,15-bis(2-methylpropyl)-3-prop-2-enyl-1-oxa-4,7,10,13,16,19-hexazacyclohenicosane-2,5,8,11,14,17,20-heptone Openeye Name: 3-allyl-12,15-diisobutyl-9-[(1-methoxyindol-3-yl)methyl]-3,4,10,16,21-pentamethyl-6,18-bis(2-methylhexyl)-1-oxa-4,7,10,13,16,19-hexazacyclohenicosane-2,5,8,11,14,17,20-heptone CAS Name: 9-[(1-methoxy-3-indolyl)methyl]-3,4,10,16,21-pentamethyl-6,18-bis(2-methylhexyl)-12,15-bis(2-methylpropyl)-3-prop-2-enyl-1-oxa-4,7,10,13,16,19-hexazacycloheneicosane-2,5,8,11,14,17,20-heptone IUPAC Name: 9-[(1-methoxyindol-3-yl)methyl]-3,4,10,16,21-pentamethyl-6,18-bis(2-methylhexyl)-12,15-bis(2-methylpropyl)-3-prop-2-enyl-1-oxa-4,7,10,13,16,19-hexazacyclohenicosane-2,5,8,11,14,17,20-heptone Traditional Name: 3-allyl-12,15-diisobutyl-9-[(1-methoxyindol-3-yl)methyl]-3,4,10,16,21-pentamethyl-6,18-bis(2-methylhexyl)-1-oxa-4,7,10,13,16,19-hexazacycloheneicosane-2,5,8,11,14,17,20-heptone Formula: C54H87N7O9 MolecularWeight: 978.31008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N1)C)(C)CC=C)C)CC(C)CCCC)CC2=CN(C3=CC=CC=C32)OC)C)CC(C)C)CC(C)C)C

Isomeric SMILES

CCCCC(C)CC1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N1)C)(C)CC=C)C)CC(C)CCCC)CC2=CN(C3=CC=CC=C32)OC)C)CC(C)C)CC(C)C)C

InChI

InChI=1S/C54H87N7O9/c1-16-19-23-36(8)30-42-51(66)58(12)45(29-35(6)7)48(63)56-41(28-34(4)5)50(65)59(13)46(32-39-33-61(69-15)44-26-22-21-25-40(39)44)49(64)57-43(31-37(9)24-20-17-2)52(67)60(14)54(11,27-18-3)53(68)70-38(10)47(62)55-42/h18,21-22,25-26,33-38,41-43,45-46H,3,16-17,19-20,23-24,27-32H2,1-2,4-15H3,(H,55,62)(H,56,63)(H,57,64)