methyl (6S)-5-cyclohexylcarbonyl-3-(phenylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

Systemtic Name: methyl (6S)-5-cyclohexylcarbonyl-3-(phenylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate Openeye Name: methyl (6S)-3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate CAS Name: (6S)-5-[cyclohexyl(oxo)methyl]-3-(phenylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate Traditional Name: (6S)-3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C3CCCCC3)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1CC2=C(CN1C(=O)C3CCCCC3)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3/c1-28-22(27)19-12-18-20(14-25(19)21(26)17-10-6-3-7-11-17)24(15-23-18)13-16-8-4-2-5-9-16/h2,4-5,8-9,15,17,19H,3,6-7,10-14H2,1H3/t19-/m0/s1