2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-5-methanoyl-benzoic acid

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-5-methanoyl-benzoic acid Openeye Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-5-formyl-benzoic acid CAS Name: 2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-5-formylbenzoic acid IUPAC Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-5-formylbenzoic acid Traditional Name: 2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-5-formyl-benzoic acid Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3)C=O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3)C=O)C(=O)O

InChI

InChI=1S/C21H21ClN2O5/c22-17-4-1-15(2-5-17)12-23-7-9-24(10-8-23)20(26)14-29-19-6-3-16(13-25)11-18(19)21(27)28/h1-6,11,13H,7-10,12,14H2,(H,27,28)