[2,3-bis[[[4-(2-methylpropyl)phenyl]methylamino]-phenyl-methyl]indol-1-yl] butanoate

Systemtic Name: [2,3-bis[[[4-(2-methylpropyl)phenyl]methylamino]-phenyl-methyl]indol-1-yl] butanoate Openeye Name: [2,3-bis[[(4-isobutylphenyl)methylamino]-phenyl-methyl]indol-1-yl] butanoate CAS Name: butanoic acid [2,3-bis[[[4-(2-methylpropyl)phenyl]methylamino]-phenylmethyl]-1-indolyl] ester IUPAC Name: [2,3-bis[[[4-(2-methylpropyl)phenyl]methylamino]-phenylmethyl]indol-1-yl] butanoate Traditional Name: butyric acid [2,3-bis[[(4-isobutylbenzyl)amino]-phenyl-methyl]indol-1-yl] ester Formula: C48H55N3O2 MolecularWeight: 705.9692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C2=CC=CC=C2C(=C1C(C3=CC=CC=C3)NCC4=CC=C(C=C4)CC(C)C)C(C5=CC=CC=C5)NCC6=CC=C(C=C6)CC(C)C

Isomeric SMILES

CCCC(=O)ON1C2=CC=CC=C2C(=C1C(C3=CC=CC=C3)NCC4=CC=C(C=C4)CC(C)C)C(C5=CC=CC=C5)NCC6=CC=C(C=C6)CC(C)C

InChI

InChI=1S/C48H55N3O2/c1-6-15-44(52)53-51-43-21-14-13-20-42(43)45(46(40-16-9-7-10-17-40)49-32-38-26-22-36(23-27-38)30-34(2)3)48(51)47(41-18-11-8-12-19-41)50-33-39-28-24-37(25-29-39)31-35(4)5/h7-14,16-29,34-35,46-47,49-50H,6,15,30-33H2,1-5H3