5-acetamido-2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 5-acetamido-2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 5-acetamido-2-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 5-acetamido-2-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-acetamido-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 5-acetamido-2-[4-[2-keto-2-(p-toluidino)ethyl]piperazino]benzoic acid Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-15-3-5-17(6-4-15)24-21(28)14-25-9-11-26(12-10-25)20-8-7-18(23-16(2)27)13-19(20)22(29)30/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)(H,24,28)(H,29,30)