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

Systemtic Name: methyl 3-methyl-7,8-bis(oxidanyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate hydrochloride Openeye Name: methyl 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate hydrochloride CAS Name: 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate hydrochloride Traditional Name: 7,8-dihydroxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid methyl ester hydrochloride Formula: C19H22ClNO4 MolecularWeight: 363.83528

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4.ClH/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;1H