methyl 4-[bis(2-chloroethyl)amino]-3-phenylmethoxy-benzoate

Systemtic Name: methyl 4-[bis(2-chloroethyl)amino]-3-phenylmethoxy-benzoate Openeye Name: methyl 3-benzyloxy-4-[bis(2-chloroethyl)amino]benzoate CAS Name: 4-[bis(2-chloroethyl)amino]-3-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 4-[bis(2-chloroethyl)amino]-3-phenylmethoxybenzoate Traditional Name: 3-benzoxy-4-[bis(2-chloroethyl)amino]benzoic acid methyl ester Formula: C19H21Cl2NO3 MolecularWeight: 382.28094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2NO3/c1-24-19(23)16-7-8-17(22(11-9-20)12-10-21)18(13-16)25-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3