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

Systemtic Name: methyl (1S,5R)-3-naphthalen-2-yl-8-(4-oxidanylpiperidin-1-yl)carbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-8-(4-hydroxypiperidine-1-carbonyl)-3-(2-naphthyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-8-[(4-hydroxy-1-piperidinyl)-oxomethyl]-3-(2-naphthalenyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-8-(4-hydroxypiperidine-1-carbonyl)-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-8-(4-hydroxypiperidine-1-carbonyl)-3-(2-naphthyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1N2C(=O)N3CCC(CC3)O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N3CCC(CC3)O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H28N2O4/c1-31-24(29)23-21(18-7-6-16-4-2-3-5-17(16)14-18)15-19-8-9-22(23)27(19)25(30)26-12-10-20(28)11-13-26/h2-7,14,19-20,22,28H,8-13,15H2,1H3/t19-,22+/m0/s1