[8-[(3S)-3-acetamido-3-phenyl-propyl]-8-azabicyclo[3.2.1]octan-3-yl] 2,4-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

Systemtic Name: [8-[(3S)-3-acetamido-3-phenyl-propyl]-8-azabicyclo[3.2.1]octan-3-yl] 2,4-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate Openeye Name: [8-[(3S)-3-acetamido-3-phenyl-propyl]-8-azabicyclo[3.2.1]octan-3-yl] 2,4-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate CAS Name: 2,4-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid [8-[(3S)-3-acetamido-3-phenylpropyl]-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-[(3S)-3-acetamido-3-phenylpropyl]-8-azabicyclo[3.2.1]octan-3-yl] 2,4-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate Traditional Name: 2,4-dimethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylic acid [8-[(3S)-3-acetamido-3-phenyl-propyl]-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCN1C(=O)OC3CC4CCC(C3)N4CCC(C5=CC=CC=C5)NC(=O)C)NC(=N2)C

Isomeric SMILES

CC1C2=C(CCN1C(=O)OC3CC4CCC(C3)N4CC[C@@H](C5=CC=CC=C5)NC(=O)C)NC(=N2)C

InChI

InChI=1S/C27H37N5O3/c1-17-26-25(28-18(2)29-26)12-13-31(17)27(34)35-23-15-21-9-10-22(16-23)32(21)14-11-24(30-19(3)33)20-7-5-4-6-8-20/h4-8,17,21-24H,9-16H2,1-3H3,(H,28,29)(H,30,33)/t17?,21?,22?,23?,24-/m0/s1