3-(4-cyclopentyloxy-3-methoxy-phenyl)-3-(5-oxidanylidene-1H-pyrrolo[3,4-b]pyridin-6-yl)propanoic acid

Systemtic Name: 3-(4-cyclopentyloxy-3-methoxy-phenyl)-3-(5-oxidanylidene-1H-pyrrolo[3,4-b]pyridin-6-yl)propanoic acid Openeye Name: 3-[4-(cyclopentoxy)-3-methoxy-phenyl]-3-(5-oxo-1H-pyrrolo[3,4-b]pyridin-6-yl)propanoic acid CAS Name: 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-(5-oxo-1H-pyrrolo[3,4-b]pyridin-6-yl)propanoic acid IUPAC Name: 3-(4-cyclopentyloxy-3-methoxyphenyl)-3-(5-oxo-1H-pyrrolo[3,4-b]pyridin-6-yl)propanoic acid Traditional Name: 3-[4-(cyclopentoxy)-3-methoxy-phenyl]-3-(5-keto-1H-pyrrolo[3,4-b]pyridin-6-yl)propionic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)O)N2C=C3C(=CC=CN3)C2=O)OC4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(CC(=O)O)N2C=C3C(=CC=CN3)C2=O)OC4CCCC4

InChI

InChI=1S/C22H24N2O5/c1-28-20-11-14(8-9-19(20)29-15-5-2-3-6-15)18(12-21(25)26)24-13-17-16(22(24)27)7-4-10-23-17/h4,7-11,13,15,18,23H,2-3,5-6,12H2,1H3,(H,25,26)