methyl (1S,5R)-8-(furan-2-ylmethylcarbamoyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl (1S,5R)-8-(furan-2-ylmethylcarbamoyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-8-(2-furylmethylcarbamoyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-8-[(2-furanylmethylamino)-oxomethyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-8-(furan-2-ylmethylcarbamoyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-8-(2-furfurylcarbamoyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1N2C(=O)NCC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O4/c1-26-20(24)19-17(14-6-3-2-4-7-14)12-15-9-10-18(19)23(15)21(25)22-13-16-8-5-11-27-16/h2-8,11,15,18H,9-10,12-13H2,1H3,(H,22,25)/t15-,18+/m0/s1