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

Systemtic Name: 2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-methyl-4-oxidanylidene-2-(3-pyrrolidin-1-ylphenoxy)pentanoic acid Openeye Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-3-methyl-4-oxo-2-(3-pyrrolidin-1-ylphenoxy)pentanoic acid CAS Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-methyl-4-oxo-2-[3-(1-pyrrolidinyl)phenoxy]pentanoic acid IUPAC Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-methyl-4-oxo-2-(3-pyrrolidin-1-ylphenoxy)pentanoic acid Traditional Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-4-keto-3-methyl-2-(3-pyrrolidinophenoxy)valeric acid Formula: C28H34N4O6 MolecularWeight: 522.59276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)C(C(C)C(=O)C)(C(=O)O)OC3=CC=CC(=C3)N4CCCC4)C(=O)NC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)C(C(C)C(=O)C)(C(=O)O)OC3=CC=CC(=C3)N4CCCC4)C(=O)NC

InChI

InChI=1S/C28H34N4O6/c1-5-37-24-13-19-16-32(25(29)22(19)15-23(24)26(34)30-4)28(27(35)36,17(2)18(3)33)38-21-10-8-9-20(14-21)31-11-6-7-12-31/h8-10,13-15,17,29H,5-7,11-12,16H2,1-4H3,(H,30,34)(H,35,36)