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

Systemtic Name: methyl 5-(4-hydroxyphenyl)-7,8-bis(oxidanyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Openeye Name: methyl 7,8-dihydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate CAS Name: 7,8-dihydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dihydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Traditional Name: 7,8-dihydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5/c1-24-18(23)16-12-6-7-19-9-14(10-2-4-11(20)5-3-10)13(12)8-15(21)17(16)22/h2-5,8,14,19-22H,6-7,9H2,1H3