4-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazino]benzoic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H25N3O3/c1-15-4-3-5-16(2)20(15)22-19(25)14-23-10-12-24(13-11-23)18-8-6-17(7-9-18)21(26)27/h3-9H,10-14H2,1-2H3,(H,22,25)(H,26,27)