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

Systemtic Name: methyl (1S,5R)-8-(4-oxidanylpiperidin-1-yl)carbonyl-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-8-(4-hydroxypiperidine-1-carbonyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-8-[(4-hydroxy-1-piperidinyl)-oxomethyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-8-(4-hydroxypiperidine-1-carbonyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-8-(4-hydroxypiperidine-1-carbonyl)-3-phenyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-27-20(25)19-17(14-5-3-2-4-6-14)13-15-7-8-18(19)23(15)21(26)22-11-9-16(24)10-12-22/h2-6,15-16,18,24H,7-13H2,1H3/t15-,18+/m0/s1