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

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-2-(2-methylpropyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-2-isobutyl-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-2-(2-methylpropyl)-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-7-methyl-2-(2-methylpropyl)-6,8-dioxoisoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-2-isobutyl-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C30H28N2O4 MolecularWeight: 480.55432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)CCC3=CC=CC=C3)C=C1C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)CN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)CCC3=CC=CC=C3)C=C1C4=CC=C(C=C4)C#N

InChI

InChI=1S/C30H28N2O4/c1-20(2)18-32-19-25-24(15-26(32)23-12-9-22(17-31)10-13-23)16-27(33)30(3,29(25)35)36-28(34)14-11-21-7-5-4-6-8-21/h4-10,12-13,15-16,19-20H,11,14,18H2,1-3H3