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

Systemtic Name: 3-[3-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]phenyl]propanoic acid Openeye Name: 3-[3-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]phenyl]propanoic acid CAS Name: 3-[3-[[[[2-(2,5-diphenyl-1-pyrrolidinyl)-2-oxoethyl]amino]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[3-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxoethyl]carbamoylamino]phenyl]propanoic acid Traditional Name: 3-[3-[[2-(2,5-diphenylpyrrolidino)-2-keto-ethyl]carbamoylamino]phenyl]propionic acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4/c32-26(19-29-28(35)30-23-13-7-8-20(18-23)14-17-27(33)34)31-24(21-9-3-1-4-10-21)15-16-25(31)22-11-5-2-6-12-22/h1-13,18,24-25H,14-17,19H2,(H,33,34)(H2,29,30,35)