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

Systemtic Name: 1-[1-[(4-bromanyl-3,5-diethoxy-phenyl)methyl]piperidin-4-yl]-3-oxidanylidene-2,4-dihydroquinoxaline-6-carboxylic acid Openeye Name: 1-[1-[(4-bromo-3,5-diethoxy-phenyl)methyl]-4-piperidyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid CAS Name: 1-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]-4-piperidinyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid IUPAC Name: 1-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid Traditional Name: 1-[1-(4-bromo-3,5-diethoxy-benzyl)-4-piperidyl]-3-keto-2,4-dihydroquinoxaline-6-carboxylic acid Formula: C25H30BrN3O5 MolecularWeight: 532.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1Br)OCC)CN2CCC(CC2)N3CC(=O)NC4=C3C=CC(=C4)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1Br)OCC)CN2CCC(CC2)N3CC(=O)NC4=C3C=CC(=C4)C(=O)O

InChI

InChI=1S/C25H30BrN3O5/c1-3-33-21-11-16(12-22(24(21)26)34-4-2)14-28-9-7-18(8-10-28)29-15-23(30)27-19-13-17(25(31)32)5-6-20(19)29/h5-6,11-13,18H,3-4,7-10,14-15H2,1-2H3,(H,27,30)(H,31,32)