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

Systemtic Name: 2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-oxidanylidene-2-(3-pyrrolidin-1-ylphenoxy)butanoic acid Openeye Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-3-oxo-2-(3-pyrrolidin-1-ylphenoxy)butanoic acid CAS Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-oxo-2-[3-(1-pyrrolidinyl)phenoxy]butanoic acid IUPAC Name: 2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-oxo-2-(3-pyrrolidin-1-ylphenoxy)butanoic acid Traditional Name: 2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-3-keto-2-(3-pyrrolidinophenoxy)butyric acid Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H30N4O6/c1-4-35-22-12-17-15-30(23(27)20(17)14-21(22)24(32)28-3)26(16(2)31,25(33)34)36-19-9-7-8-18(13-19)29-10-5-6-11-29/h7-9,12-14,27H,4-6,10-11,15H2,1-3H3,(H,28,32)(H,33,34)