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

Systemtic Name: methyl 3-methyl-7,8-bis(oxidanyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate Openeye Name: methyl 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate CAS Name: 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate Traditional Name: 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid methyl ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)C(=O)OC

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)C(=O)OC

InChI

InChI=1S/C19H21NO4/c1-20-9-8-13-14(15(11-20)12-6-4-3-5-7-12)10-16(21)18(22)17(13)19(23)24-2/h3-7,10,15,21-22H,8-9,11H2,1-2H3