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

Systemtic Name: 2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-ethyl-4-oxidanylidene-2-propan-2-yloxy-3-(2-pyrrolidin-1-ylphenoxy)pentanoic acid Openeye Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-3-ethyl-2-isopropoxy-4-oxo-3-(2-pyrrolidin-1-ylphenoxy)pentanoic acid CAS Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-ethyl-4-oxo-2-propan-2-yloxy-3-[2-(1-pyrrolidinyl)phenoxy]pentanoic acid IUPAC Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-ethyl-4-oxo-2-propan-2-yloxy-3-(2-pyrrolidin-1-ylphenoxy)pentanoic acid Traditional Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-3-ethyl-2-isopropoxy-4-keto-3-(2-pyrrolidinophenoxy)valeric acid Formula: C32H42N4O7 MolecularWeight: 594.69848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)(C(C(=O)O)(N1CC2=CC(=C(C=C2C1=N)C(=O)NC)OCC)OC(C)C)OC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CCC(C(=O)C)(C(C(=O)O)(N1CC2=CC(=C(C=C2C1=N)C(=O)NC)OCC)OC(C)C)OC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C32H42N4O7/c1-7-31(21(5)37,43-26-14-10-9-13-25(26)35-15-11-12-16-35)32(30(39)40,42-20(3)4)36-19-22-17-27(41-8-2)24(29(38)34-6)18-23(22)28(36)33/h9-10,13-14,17-18,20,33H,7-8,11-12,15-16,19H2,1-6H3,(H,34,38)(H,39,40)