2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]-2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-oxidanylidene-butanoic acid Openeye Name: 2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-3-oxo-butanoic acid CAS Name: 2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-oxobutanoic acid IUPAC Name: 2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-3-oxobutanoic acid Traditional Name: 2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]-3-keto-butyric acid Formula: C27H32N4O5 MolecularWeight: 492.56678

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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)N3CCC(C4=CC=CC=C43)(C)C)C(=O)NC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)C(C(=O)C)(C(=O)O)N3CCC(C4=CC=CC=C43)(C)C)C(=O)NC

InChI

InChI=1S/C27H32N4O5/c1-6-36-22-13-17-15-31(23(28)18(17)14-19(22)24(33)29-5)27(16(2)32,25(34)35)30-12-11-26(3,4)20-9-7-8-10-21(20)30/h7-10,13-14,28H,6,11-12,15H2,1-5H3,(H,29,33)(H,34,35)