(11E)-11-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate hydrochloride

Systemtic Name: (11E)-11-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate hydrochloride Openeye Name: (11E)-11-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate hydrochloride CAS Name: (11E)-11-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate hydrochloride IUPAC Name: (11E)-11-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate hydrochloride Traditional Name: (11E)-11-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate hydrochloride Formula: C27H25ClNO3- MolecularWeight: 446.9453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCC=C3C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)[O-].Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)[O-].Cl

InChI

InChI=1S/C27H25NO3.ClH/c29-27(30)20-11-12-26-25(16-20)24(23-9-4-3-8-22(23)18-31-26)10-5-14-28-15-13-19-6-1-2-7-21(19)17-28;/h1-4,6-12,16H,5,13-15,17-18H2,(H,29,30);1H/p-1/b24-10+;