4-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(2-anilino-2-oxo-ethyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(2-anilino-2-oxoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(2-anilino-2-keto-ethyl)piperazino]benzoic acid Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H21N3O3/c23-18(20-16-4-2-1-3-5-16)14-21-10-12-22(13-11-21)17-8-6-15(7-9-17)19(24)25/h1-9H,10-14H2,(H,20,23)(H,24,25)