methyl (1S,5R)-3-(4-ethanoylphenyl)-8-piperidin-1-ylcarbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl (1S,5R)-3-(4-ethanoylphenyl)-8-piperidin-1-ylcarbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-3-(4-acetylphenyl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-3-(4-acetylphenyl)-8-[oxo(1-piperidinyl)methyl]-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-3-(4-acetylphenyl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-3-(4-acetylphenyl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=C(C3CCC(C2)N3C(=O)N4CCCCC4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-15(26)16-6-8-17(9-7-16)19-14-18-10-11-20(21(19)22(27)29-2)25(18)23(28)24-12-4-3-5-13-24/h6-9,18,20H,3-5,10-14H2,1-2H3/t18-,20+/m0/s1