[4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 3,5-bis(azanyl)benzoate

Systemtic Name: [4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 3,5-bis(azanyl)benzoate Openeye Name: [17-(1,6-dimethylhept-5-enyl)-4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 3,5-diaminobenzoate CAS Name: 3,5-diaminobenzoic acid [4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 3,5-diaminobenzoate Traditional Name: 3,5-diaminobenzoic acid [17-(1,6-dimethylhept-5-enyl)-4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C37H56N2O2 MolecularWeight: 560.85274

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4(C)C)OC(=O)C5=CC(=CC(=C5)N)N)C)C

Isomeric SMILES

CC(CCCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4(C)C)OC(=O)C5=CC(=CC(=C5)N)N)C)C

InChI

InChI=1S/C37H56N2O2/c1-23(2)10-8-9-11-24(3)29-13-14-30-28-12-15-32-35(4,5)33(41-34(40)25-20-26(38)22-27(39)21-25)17-19-37(32,7)31(28)16-18-36(29,30)6/h10,15,20-22,24,28-31,33H,8-9,11-14,16-19,38-39H2,1-7H3