(phenylmethyl) 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoate

Systemtic Name: (phenylmethyl) 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoate Openeye Name: benzyl 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoate CAS Name: 2-[bis(2-chloroethyl)amino]-3,5-dimethylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[bis(2-chloroethyl)amino]-3,5-dimethylbenzoate Traditional Name: 2-[bis(2-chloroethyl)amino]-3,5-dimethyl-benzoic acid benzyl ester Formula: C20H23Cl2NO2 MolecularWeight: 380.30812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)OCC2=CC=CC=C2)N(CCCl)CCCl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)OCC2=CC=CC=C2)N(CCCl)CCCl)C

InChI

InChI=1S/C20H23Cl2NO2/c1-15-12-16(2)19(23(10-8-21)11-9-22)18(13-15)20(24)25-14-17-6-4-3-5-7-17/h3-7,12-13H,8-11,14H2,1-2H3