2-[5-[(2,3-dihydro-1H-isoindol-5-ylcarbonylamino)methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[(2,3-dihydro-1H-isoindol-5-ylcarbonylamino)methyl]-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[(isoindoline-5-carbonylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[[2,3-dihydro-1H-isoindol-5-yl(oxo)methyl]amino]methyl]-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[(2,3-dihydro-1H-isoindole-5-carbonylamino)methyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[(isoindoline-5-carbonylamino)methyl]-2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1CNC(=O)C2=CC3=C(CNC3)C=C2)CCCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1CNC(=O)C2=CC3=C(CNC3)C=C2)CCCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H29N3O4/c29-23(30)13-20-12-22(28(25(20)32)10-4-7-17-5-2-1-3-6-17)16-27-24(31)18-8-9-19-14-26-15-21(19)11-18/h1-3,5-6,8-9,11,20,22,26H,4,7,10,12-16H2,(H,27,31)(H,29,30)