methyl (1S,5R)-8-(naphthalen-1-ylmethylcarbamoyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl (1S,5R)-8-(naphthalen-1-ylmethylcarbamoyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-8-(1-naphthylmethylcarbamoyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-8-[(1-naphthalenylmethylamino)-oxomethyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-8-(naphthalen-1-ylmethylcarbamoyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-8-(1-naphthylmethylcarbamoyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1N2C(=O)NCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3/c1-32-26(30)25-23(19-8-3-2-4-9-19)16-21-14-15-24(25)29(21)27(31)28-17-20-12-7-11-18-10-5-6-13-22(18)20/h2-13,21,24H,14-17H2,1H3,(H,28,31)/t21-,24+/m0/s1