methyl (3S,4R)-4-(2-methylphenyl)-1-[[(7R,9S)-9-oxidanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methyl]piperidine-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-(2-methylphenyl)-1-[[(7R,9S)-9-oxidanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methyl]piperidine-3-carboxylate Openeye Name: methyl (3S,4R)-1-[[(7R,9S)-9-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methyl]-4-(o-tolyl)piperidine-3-carboxylate CAS Name: (3S,4R)-1-[[(7R,9S)-9-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methyl]-4-(2-methylphenyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-1-[[(7R,9S)-9-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methyl]-4-(2-methylphenyl)piperidine-3-carboxylate Traditional Name: (3S,4R)-1-[[(7R,9S)-9-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-yl]methyl]-4-(o-tolyl)nipecotic acid methyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CCN(CC2C(=O)OC)CC3CCC4=C(C(C3)O)N=CC=C4

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2CCN(C[C@H]2C(=O)OC)C[C@@H]3CCC4=C([C@H](C3)O)N=CC=C4

InChI

InChI=1S/C25H32N2O3/c1-17-6-3-4-8-20(17)21-11-13-27(16-22(21)25(29)30-2)15-18-9-10-19-7-5-12-26-24(19)23(28)14-18/h3-8,12,18,21-23,28H,9-11,13-16H2,1-2H3/t18-,21+,22-,23+/m1/s1