methyl (1S,5R)-3-naphthalen-2-yl-8-piperidin-1-ylcarbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl (1S,5R)-3-naphthalen-2-yl-8-piperidin-1-ylcarbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-3-(2-naphthyl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-3-(2-naphthalenyl)-8-[oxo(1-piperidinyl)methyl]-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-3-naphthalen-2-yl-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-3-(2-naphthyl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1N2C(=O)N3CCCCC3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N3CCCCC3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H28N2O3/c1-30-24(28)23-21(19-10-9-17-7-3-4-8-18(17)15-19)16-20-11-12-22(23)27(20)25(29)26-13-5-2-6-14-26/h3-4,7-10,15,20,22H,2,5-6,11-14,16H2,1H3/t20-,22+/m0/s1