4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-3-ethoxy-benzaldehyde

Systemtic Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-3-ethoxy-benzaldehyde Openeye Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-3-ethoxy-benzaldehyde CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-ethoxybenzaldehyde IUPAC Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-ethoxybenzaldehyde Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-3-ethoxy-benzaldehyde Formula: C20H21NO4 MolecularWeight: 339.38504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H21NO4/c1-2-24-19-11-15(13-22)7-8-18(19)25-14-20(23)21-10-9-16-5-3-4-6-17(16)12-21/h3-8,11,13H,2,9-10,12,14H2,1H3