3-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-(2,5-diphenyl-1-pyrrolidinyl)-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-(2,5-diphenylpyrrolidino)-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4/c30-24(17-27-26(33)28-21-13-7-12-20(16-21)25(31)32)29-22(18-8-3-1-4-9-18)14-15-23(29)19-10-5-2-6-11-19/h1-13,16,22-23H,14-15,17H2,(H,31,32)(H2,27,28,33)