methyl 4-[(1R,5R)-8-piperidin-1-ylcarbonyl-8-azabicyclo[3.2.1]octan-3-yl]benzoate

Systemtic Name: methyl 4-[(1R,5R)-8-piperidin-1-ylcarbonyl-8-azabicyclo[3.2.1]octan-3-yl]benzoate Openeye Name: methyl 4-[(1R,5R)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzoate CAS Name: 4-[(1R,5R)-8-[oxo(1-piperidinyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1R,5R)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzoate Traditional Name: 4-[(1R,5R)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]benzoic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2CC3CCC(C2)N3C(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C[C@H]3CC[C@H](C2)N3C(=O)N4CCCCC4

InChI

InChI=1S/C21H28N2O3/c1-26-20(24)16-7-5-15(6-8-16)17-13-18-9-10-19(14-17)23(18)21(25)22-11-3-2-4-12-22/h5-8,17-19H,2-4,9-14H2,1H3/t18-,19-/m1/s1