[3-[bis(2-chloroethyl)amino]phenyl] 17-octyl-15H-cyclopenta[a]phenanthrene-3-carboxylate

Systemtic Name: [3-[bis(2-chloroethyl)amino]phenyl] 17-octyl-15H-cyclopenta[a]phenanthrene-3-carboxylate Openeye Name: [3-[bis(2-chloroethyl)amino]phenyl] 17-octyl-15H-cyclopenta[a]phenanthrene-3-carboxylate CAS Name: 17-octyl-15H-cyclopenta[a]phenanthrene-3-carboxylic acid [3-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [3-[bis(2-chloroethyl)amino]phenyl] 17-octyl-15H-cyclopenta[a]phenanthrene-3-carboxylate Traditional Name: 17-octyl-15H-cyclopenta[a]phenanthrene-3-carboxylic acid [3-[bis(2-chloroethyl)amino]phenyl] ester Formula: C36H39Cl2NO2 MolecularWeight: 588.60636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CCC2=C1C=CC3=C2C=CC4=C3C=CC(=C4)C(=O)OC5=CC=CC(=C5)N(CCCl)CCCl

Isomeric SMILES

CCCCCCCCC1=CCC2=C1C=CC3=C2C=CC4=C3C=CC(=C4)C(=O)OC5=CC=CC(=C5)N(CCCl)CCCl

InChI

InChI=1S/C36H39Cl2NO2/c1-2-3-4-5-6-7-9-26-12-16-33-31(26)18-19-34-32-15-14-28(24-27(32)13-17-35(33)34)36(40)41-30-11-8-10-29(25-30)39(22-20-37)23-21-38/h8,10-15,17-19,24-25H,2-7,9,16,20-23H2,1H3