3-(aminocarbonylamino)-2-(2,5-diphenylpyrrolidin-1-yl)-4-(2-oxidanylideneethyl)benzoic acid

Systemtic Name: 3-(aminocarbonylamino)-2-(2,5-diphenylpyrrolidin-1-yl)-4-(2-oxidanylideneethyl)benzoic acid Openeye Name: 2-(2,5-diphenylpyrrolidin-1-yl)-4-(2-oxoethyl)-3-ureido-benzoic acid CAS Name: 3-(carbamoylamino)-2-(2,5-diphenyl-1-pyrrolidinyl)-4-(2-oxoethyl)benzoic acid IUPAC Name: 3-(carbamoylamino)-2-(2,5-diphenylpyrrolidin-1-yl)-4-(2-oxoethyl)benzoic acid Traditional Name: 2-(2,5-diphenylpyrrolidino)-4-(2-ketoethyl)-3-ureido-benzoic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2)C3=C(C=CC(=C3NC(=O)N)CC=O)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1C2=CC=CC=C2)C3=C(C=CC(=C3NC(=O)N)CC=O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4/c27-26(33)28-23-19(15-16-30)11-12-20(25(31)32)24(23)29-21(17-7-3-1-4-8-17)13-14-22(29)18-9-5-2-6-10-18/h1-12,16,21-22H,13-15H2,(H,31,32)(H3,27,28,33)