methyl 10-oxidanyl-13-(phenylmethyl)-13-azabicyclo[9.2.1]tetradeca-1(14),11-diene-9-carboxylate

Systemtic Name: methyl 10-oxidanyl-13-(phenylmethyl)-13-azabicyclo[9.2.1]tetradeca-1(14),11-diene-9-carboxylate Openeye Name: methyl 13-benzyl-10-hydroxy-13-azabicyclo[9.2.1]tetradeca-1(14),11-diene-9-carboxylate CAS Name: 10-hydroxy-13-(phenylmethyl)-13-azabicyclo[9.2.1]tetradeca-1(14),11-diene-9-carboxylic acid methyl ester IUPAC Name: methyl 13-benzyl-10-hydroxy-13-azabicyclo[9.2.1]tetradeca-1(14),11-diene-9-carboxylate Traditional Name: 13-benzyl-10-hydroxy-13-azabicyclo[9.2.1]tetradeca-1(14),11-diene-9-carboxylic acid methyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCCCCC2=CC(=CN2CC3=CC=CC=C3)C1O

Isomeric SMILES

COC(=O)C1CCCCCCCC2=CC(=CN2CC3=CC=CC=C3)C1O

InChI

InChI=1S/C22H29NO3/c1-26-22(25)20-13-9-4-2-3-8-12-19-14-18(21(20)24)16-23(19)15-17-10-6-5-7-11-17/h5-7,10-11,14,16,20-21,24H,2-4,8-9,12-13,15H2,1H3