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

Systemtic Name: 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-4-methyl-benzoic acid Openeye Name: 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-4-methyl-benzoic acid CAS Name: 3-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-4-methylbenzoic acid IUPAC Name: 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-4-methylbenzoic acid Traditional Name: 3-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-4-methyl-benzoic acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-15-2-5-17(21(26)27)12-19(15)28-14-20(25)24-10-8-23(9-11-24)13-16-3-6-18(22)7-4-16/h2-7,12H,8-11,13-14H2,1H3,(H,26,27)