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

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-2-(4-oxidanylbutyl)-6,8-bis(oxidanylidene)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-2-(4-hydroxybutyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-2-(4-hydroxybutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-2-(4-hydroxybutyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C30H28N2O5 MolecularWeight: 496.55372

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H28N2O5/c1-30(37-28(35)14-11-21-7-3-2-4-8-21)27(34)18-24-17-26(23-12-9-22(19-31)10-13-23)32(15-5-6-16-33)20-25(24)29(30)36/h2-4,7-10,12-13,17-18,20,33H,5-6,11,14-16H2,1H3