3-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenyl-quinoxaline-6-carboxylic acid

Systemtic Name: 3-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenyl-quinoxaline-6-carboxylic acid Openeye Name: 3-[4-[[4-(2-methylbenzimidazol-1-yl)-1-piperidyl]methyl]phenyl]-2-phenyl-quinoxaline-6-carboxylic acid CAS Name: 3-[4-[[4-(2-methyl-1-benzimidazolyl)-1-piperidinyl]methyl]phenyl]-2-phenyl-6-quinoxalinecarboxylic acid IUPAC Name: 3-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid Traditional Name: 3-[4-[[4-(2-methylbenzimidazol-1-yl)piperidino]methyl]phenyl]-2-phenyl-quinoxaline-6-carboxylic acid Formula: C35H31N5O2 MolecularWeight: 553.65294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1C3CCN(CC3)CC4=CC=C(C=C4)C5=NC6=C(C=CC(=C6)C(=O)O)N=C5C7=CC=CC=C7

Isomeric SMILES

CC1=NC2=CC=CC=C2N1C3CCN(CC3)CC4=CC=C(C=C4)C5=NC6=C(C=CC(=C6)C(=O)O)N=C5C7=CC=CC=C7

InChI

InChI=1S/C35H31N5O2/c1-23-36-30-9-5-6-10-32(30)40(23)28-17-19-39(20-18-28)22-24-11-13-26(14-12-24)34-33(25-7-3-2-4-8-25)37-29-16-15-27(35(41)42)21-31(29)38-34/h2-16,21,28H,17-20,22H2,1H3,(H,41,42)