4-[4-[2-[(4-chlorophenyl)-methyl-amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-[(4-chlorophenyl)-methyl-amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(4-chloro-N-methyl-anilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-(4-chloro-N-methylanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(4-chloro-N-methylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(4-chloro-N-methyl-anilino)-2-keto-ethyl]piperazino]benzoic acid Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)Cl)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)Cl)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

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