methyl 7,8-bis(oxidanyl)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate

Systemtic Name: methyl 7,8-bis(oxidanyl)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Openeye Name: methyl 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate CAS Name: 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Traditional Name: 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCNCC(C2=CC(=C1O)O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C2CCNCC(C2=CC(=C1O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO4/c1-23-18(22)16-12-7-8-19-10-14(11-5-3-2-4-6-11)13(12)9-15(20)17(16)21/h2-6,9,14,19-21H,7-8,10H2,1H3