[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] (E)-3-(2-chloranylquinolin-3-yl)prop-2-enoate

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] (E)-3-(2-chloranylquinolin-3-yl)prop-2-enoate 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] (E)-3-(2-chloro-3-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-chloro-3-quinolinyl)-2-propenoic 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] (E)-3-(2-chloroquinolin-3-yl)prop-2-enoate Traditional Name: (E)-3-(2-chloro-3-quinolyl)acrylic 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: C39H52ClNO2 MolecularWeight: 602.28868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=CC5=CC6=CC=CC=C6N=C5Cl)C)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)/C=C/C5=CC6=CC=CC=C6N=C5Cl)C)C

InChI

InChI=1S/C39H52ClNO2/c1-25(2)9-8-10-26(3)32-16-17-33-31-15-14-29-24-30(19-21-38(29,4)34(31)20-22-39(32,33)5)43-36(42)18-13-28-23-27-11-6-7-12-35(27)41-37(28)40/h6-7,11-14,18,23,25-26,30-34H,8-10,15-17,19-22,24H2,1-5H3/b18-13+