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

Systemtic Name: [3-(4-cyanophenyl)-2-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-2-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-2-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-2-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-6,8-diketo-2-(4-methoxyphenyl)-7-methyl-7-isoquinolyl] ester Formula: C33H26N2O5 MolecularWeight: 530.56994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C33H26N2O5/c1-33(40-31(37)17-10-22-6-4-3-5-7-22)30(36)19-25-18-29(24-11-8-23(20-34)9-12-24)35(21-28(25)32(33)38)26-13-15-27(39-2)16-14-26/h3-9,11-16,18-19,21H,10,17H2,1-2H3