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

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC=C(C=C3)CO

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC(=O)C3=CC=C(C=C3)CO

InChI

InChI=1S/C20H21ClN2O4/c21-17-2-1-3-18(12-17)22-8-10-23(11-9-22)19(25)14-27-20(26)16-6-4-15(13-24)5-7-16/h1-7,12,24H,8-11,13-14H2