[(4aS,4bR,10bS,12aS)-12a-methyl-2-oxidanylidene-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate

Systemtic Name: [(4aS,4bR,10bS,12aS)-12a-methyl-2-oxidanylidene-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate Openeye Name: [(4aS,4bR,10bS,12aS)-12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(4aS,4bR,10bS,12aS)-12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] ester IUPAC Name: [(4aS,4bR,10bS,12aS)-12a-methyl-2-oxo-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Traditional Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(4aS,4bR,10bS,12aS)-2-keto-12a-methyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-8-yl] ester Formula: C30H36Cl2N2O3 MolecularWeight: 543.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC(=O)N2)CCC4=C3C=CC(=C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)N2)CCC4=C3C=CC(=C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl

InChI

InChI=1S/C30H36Cl2N2O3/c1-30-13-12-25-24-9-7-23(19-21(24)4-8-26(25)27(30)10-11-28(35)33-30)37-29(36)18-20-2-5-22(6-3-20)34(16-14-31)17-15-32/h2-3,5-7,9,19,25-27H,4,8,10-18H2,1H3,(H,33,35)/t25-,26-,27+,30+/m1/s1