methyl 4-oxidanyl-1-(phenylmethyl)-4,5-dihydroazepine-3-carboxylate

Systemtic Name: methyl 4-oxidanyl-1-(phenylmethyl)-4,5-dihydroazepine-3-carboxylate Openeye Name: methyl 1-benzyl-4-hydroxy-4,5-dihydroazepine-3-carboxylate CAS Name: 4-hydroxy-1-(phenylmethyl)-4,5-dihydroazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-hydroxy-4,5-dihydroazepine-3-carboxylate Traditional Name: 1-benzyl-4-hydroxy-4,5-dihydroazepine-3-carboxylic acid methyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=CCC1O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CN(C=CCC1O)CC2=CC=CC=C2

InChI

InChI=1S/C15H17NO3/c1-19-15(18)13-11-16(9-5-8-14(13)17)10-12-6-3-2-4-7-12/h2-7,9,11,14,17H,8,10H2,1H3