(13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate

Systemtic Name: (13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate Openeye Name: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Traditional Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid (17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) ester Formula: C30H35Cl2NO3 MolecularWeight: 528.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl

Isomeric SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl

InChI

InChI=1S/C30H35Cl2NO3/c1-30-13-12-25-24-9-7-23(19-21(24)4-8-26(25)27(30)10-11-28(30)34)36-29(35)18-20-2-5-22(6-3-20)33(16-14-31)17-15-32/h2-3,5-7,9,19,25-27H,4,8,10-18H2,1H3