[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]dodecanoate

Systemtic Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]dodecanoate Openeye Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]pyrrol-2-yl]dodecanoate CAS Name: 12-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-pyrrolyl]dodecanoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]dodecanoate Traditional Name: 12-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]pyrrol-2-yl]lauric acid [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C50H78N2O2 MolecularWeight: 739.16652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C=C2C=CC(=N2)CCCCCCCCCCCC(=O)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCCC(C)C)C)C)C

Isomeric SMILES

CC1=CC(=C(N1)C=C2C=CC(=N2)CCCCCCCCCCCC(=O)OC3CCC4(C5CCC6(C(C5CC=C4C3)CCC6C(C)CCCC(C)C)C)C)C

InChI

InChI=1S/C50H78N2O2/c1-35(2)18-17-19-36(3)44-26-27-45-43-25-22-39-33-42(28-30-49(39,6)46(43)29-31-50(44,45)7)54-48(53)21-16-14-12-10-8-9-11-13-15-20-40-23-24-41(52-40)34-47-37(4)32-38(5)51-47/h22-24,32,34-36,42-46,51H,8-21,25-31,33H2,1-7H3