[(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[bis(2-chloroethyl)amino]-3-methyl-benzoate

Systemtic Name: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[bis(2-chloroethyl)amino]-3-methyl-benzoate Openeye Name: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[bis(2-chloroethyl)amino]-3-methyl-benzoate CAS Name: 4-[bis(2-chloroethyl)amino]-3-methylbenzoic acid [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester IUPAC Name: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 4-[bis(2-chloroethyl)amino]-3-methylbenzoate Traditional Name: 4-[bis(2-chloroethyl)amino]-3-methyl-benzoic acid [(4aS,4bR,8S,10aR,10bS,12aS)-2-keto-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester Formula: C31H42Cl2N2O3 MolecularWeight: 561.58278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC(=O)N5)C)C)N(CCCl)CCCl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CCC(=O)N5)C)C)N(CCCl)CCCl

InChI

InChI=1S/C31H42Cl2N2O3/c1-20-18-21(4-8-27(20)35(16-14-32)17-15-33)29(37)38-23-10-12-30(2)22(19-23)5-6-24-25(30)11-13-31(3)26(24)7-9-28(36)34-31/h4-5,8,18,23-26H,6-7,9-17,19H2,1-3H3,(H,34,36)/t23-,24+,25-,26-,30-,31-/m0/s1