3-[[2-(2-ethoxycarbonyl-5-phenyl-pyrrolidin-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[2-(2-ethoxycarbonyl-5-phenyl-pyrrolidin-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-(2-ethoxycarbonyl-5-phenyl-pyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-(2-ethoxycarbonyl-5-phenyl-1-pyrrolidinyl)-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-ethoxycarbonyl-5-phenylpyrrolidin-1-yl)-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-(2-carbethoxy-5-phenyl-pyrrolidino)-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(N1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCC(N1C(=O)CNC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O6/c1-2-32-22(30)19-12-11-18(15-7-4-3-5-8-15)26(19)20(27)14-24-23(31)25-17-10-6-9-16(13-17)21(28)29/h3-10,13,18-19H,2,11-12,14H2,1H3,(H,28,29)(H2,24,25,31)