4-[4-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]piperazino]benzoic acid Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H22ClN3O4/c1-28-18-7-4-15(21)12-17(18)22-19(25)13-23-8-10-24(11-9-23)16-5-2-14(3-6-16)20(26)27/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H,26,27)