2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-ethyl-4-oxidanylidene-3-phenoxy-2-pyrrolidin-1-yl-pentanoic acid

Systemtic Name: 2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-ethyl-4-oxidanylidene-3-phenoxy-2-pyrrolidin-1-yl-pentanoic acid Openeye Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-3-ethyl-4-oxo-3-phenoxy-2-pyrrolidin-1-yl-pentanoic acid CAS Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-ethyl-4-oxo-3-phenoxy-2-(1-pyrrolidinyl)pentanoic acid IUPAC Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-ethyl-4-oxo-3-phenoxy-2-pyrrolidin-1-ylpentanoic acid Traditional Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-3-ethyl-4-keto-3-phenoxy-2-pyrrolidino-valeric acid Formula: C29H36N4O6 MolecularWeight: 536.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)(C(C(=O)O)(N1CCCC1)N2CC3=CC(=C(C=C3C2=N)C(=O)NC)OCC)OC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)C)(C(C(=O)O)(N1CCCC1)N2CC3=CC(=C(C=C3C2=N)C(=O)NC)OCC)OC4=CC=CC=C4

InChI

InChI=1S/C29H36N4O6/c1-5-28(19(3)34,39-21-12-8-7-9-13-21)29(27(36)37,32-14-10-11-15-32)33-18-20-16-24(38-6-2)23(26(35)31-4)17-22(20)25(33)30/h7-9,12-13,16-17,30H,5-6,10-11,14-15,18H2,1-4H3,(H,31,35)(H,36,37)