3-[(2-methylphenyl)carbonylamino]-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[(2-methylphenyl)carbonylamino]-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(2-methylbenzoyl)amino]-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoic acid CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[(2-methylbenzoyl)amino]-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]-3-(o-toluoylamino)benzoic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C25H30N4O4/c1-18-6-2-3-7-20(18)24(31)26-21-16-19(25(32)33)8-9-22(21)28-14-12-27(13-15-28)17-23(30)29-10-4-5-11-29/h2-3,6-9,16H,4-5,10-15,17H2,1H3,(H,26,31)(H,32,33)