(phenylmethyl) 4-[bis(2-chloroethyl)amino]-3-(2-methylpropoxy)benzoate

Systemtic Name: (phenylmethyl) 4-[bis(2-chloroethyl)amino]-3-(2-methylpropoxy)benzoate Openeye Name: benzyl 4-[bis(2-chloroethyl)amino]-3-isobutoxy-benzoate CAS Name: 4-[bis(2-chloroethyl)amino]-3-(2-methylpropoxy)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[bis(2-chloroethyl)amino]-3-(2-methylpropoxy)benzoate Traditional Name: 4-[bis(2-chloroethyl)amino]-3-isobutoxy-benzoic acid benzyl ester Formula: C22H27Cl2NO3 MolecularWeight: 424.36068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2)N(CCCl)CCCl

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2)N(CCCl)CCCl

InChI

InChI=1S/C22H27Cl2NO3/c1-17(2)15-27-21-14-19(8-9-20(21)25(12-10-23)13-11-24)22(26)28-16-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3