4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzoic acid

Systemtic Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzoic acid Openeye Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzoic acid CAS Name: 4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-methoxybenzoic acid IUPAC Name: 4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoic acid Traditional Name: 4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-3-methoxy-benzoic acid Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O5/c1-28-19-12-16(21(26)27)4-7-18(19)29-14-20(25)24-10-8-23(9-11-24)13-15-2-5-17(22)6-3-15/h2-7,12H,8-11,13-14H2,1H3,(H,26,27)