methyl 4-[(E)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H21NO5/c1-27-22(26)18-9-6-16(7-10-18)8-11-21(25)28-15-20(24)23-13-12-17-4-2-3-5-19(17)14-23/h2-11H,12-15H2,1H3/b11-8+