2-(4-ethanoylpiperazin-1-yl)-5-[(4-methoxyphenyl)carbonylamino]benzoic acid

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-5-[(4-methoxyphenyl)carbonylamino]benzoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-5-[(4-methoxybenzoyl)amino]benzoic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-5-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-5-[(4-methoxybenzoyl)amino]benzoic acid Traditional Name: 2-(4-acetylpiperazino)-5-(p-anisoylamino)benzoic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H23N3O5/c1-14(25)23-9-11-24(12-10-23)19-8-5-16(13-18(19)21(27)28)22-20(26)15-3-6-17(29-2)7-4-15/h3-8,13H,9-12H2,1-2H3,(H,22,26)(H,27,28)