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

Systemtic Name: 3-[[2-[2-(2-hydroxyphenyl)-5-phenyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-[2-(2-hydroxyphenyl)-5-phenyl-pyrrolidin-1-yl]-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[2-(2-hydroxyphenyl)-5-phenyl-1-pyrrolidinyl]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[2-(2-hydroxyphenyl)-5-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-[2-(2-hydroxyphenyl)-5-phenyl-pyrrolidino]-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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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=C4O

Isomeric SMILES

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4O

InChI

InChI=1S/C26H25N3O5/c30-23-12-5-4-11-20(23)22-14-13-21(17-7-2-1-3-8-17)29(22)24(31)16-27-26(34)28-19-10-6-9-18(15-19)25(32)33/h1-12,15,21-22,30H,13-14,16H2,(H,32,33)(H2,27,28,34)