[3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-isoquinolin-7-yl] 3-phenylpropanoate

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)-2-prop-2-enyl-isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [2-allyl-3-(4-cyanophenyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-prop-2-enyl-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-prop-2-enylisoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-allyl-3-(4-cyanophenyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C29H24N2O4 MolecularWeight: 464.51186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC=C)C3=CC=C(C=C3)C#N)OC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC=C)C3=CC=C(C=C3)C#N)OC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H24N2O4/c1-3-15-31-19-24-23(16-25(31)22-12-9-21(18-30)10-13-22)17-26(32)29(2,28(24)34)35-27(33)14-11-20-7-5-4-6-8-20/h3-10,12-13,16-17,19H,1,11,14-15H2,2H3