methyl (4S,5S)-5-(furan-2-yl)-4-oxidanyl-1-(phenylmethyl)-4,5-dihydroazepine-3-carboxylate

Systemtic Name: methyl (4S,5S)-5-(furan-2-yl)-4-oxidanyl-1-(phenylmethyl)-4,5-dihydroazepine-3-carboxylate Openeye Name: methyl (4S,5S)-1-benzyl-5-(2-furyl)-4-hydroxy-4,5-dihydroazepine-3-carboxylate CAS Name: (4S,5S)-5-(2-furanyl)-4-hydroxy-1-(phenylmethyl)-4,5-dihydroazepine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,5S)-1-benzyl-5-(furan-2-yl)-4-hydroxy-4,5-dihydroazepine-3-carboxylate Traditional Name: (4S,5S)-1-benzyl-5-(2-furyl)-4-hydroxy-4,5-dihydroazepine-3-carboxylic acid methyl ester Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=CC(C1O)C2=CC=CO2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C=C[C@@H]([C@@H]1O)C2=CC=CO2)CC3=CC=CC=C3

InChI

InChI=1S/C19H19NO4/c1-23-19(22)16-13-20(12-14-6-3-2-4-7-14)10-9-15(18(16)21)17-8-5-11-24-17/h2-11,13,15,18,21H,12H2,1H3/t15-,18+/m1/s1