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

Systemtic Name: butyl 7,8-bis(oxidanyl)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate hydrochloride Openeye Name: butyl 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate hydrochloride CAS Name: 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid butyl ester hydrochloride IUPAC Name: butyl 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate hydrochloride Traditional Name: 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid butyl ester hydrochloride Formula: C21H26ClNO4 MolecularWeight: 391.88844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2CCNCC(C2=CC(=C1O)O)C3=CC=CC=C3.Cl

Isomeric SMILES

CCCCOC(=O)C1=C2CCNCC(C2=CC(=C1O)O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H25NO4.ClH/c1-2-3-11-26-21(25)19-15-9-10-22-13-17(14-7-5-4-6-8-14)16(15)12-18(23)20(19)24;/h4-8,12,17,22-24H,2-3,9-11,13H2,1H3;1H