1-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-6-carboxylic acid

Systemtic Name: 1-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]piperidin-4-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-6-carboxylic acid Openeye Name: 1-[1-[(3,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]-4-piperidyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid CAS Name: 1-[1-[[3,5-diethoxy-4-(1-pyrrolyl)phenyl]methyl]-4-piperidinyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid IUPAC Name: 1-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid Traditional Name: 1-[1-(3,5-diethoxy-4-pyrrol-1-yl-benzyl)-4-piperidyl]-3-keto-2,4-dihydroquinoxaline-6-carboxylic acid Formula: C29H34N4O5 MolecularWeight: 518.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)N4CC(=O)NC5=C4C=CC(=C5)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CN3CCC(CC3)N4CC(=O)NC5=C4C=CC(=C5)C(=O)O

InChI

InChI=1S/C29H34N4O5/c1-3-37-25-15-20(16-26(38-4-2)28(25)32-11-5-6-12-32)18-31-13-9-22(10-14-31)33-19-27(34)30-23-17-21(29(35)36)7-8-24(23)33/h5-8,11-12,15-17,22H,3-4,9-10,13-14,18-19H2,1-2H3,(H,30,34)(H,35,36)