[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3O3/c1-14-4-2-7-17(19(14)22)20(26)27-13-18(25)24-10-8-23(9-11-24)16-6-3-5-15(21)12-16/h2-7,12H,8-11,13,22H2,1H3