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

Systemtic Name: [3-(4-cyanophenyl)-7-methyl-6,8-bis(oxidanylidene)-2-(3-propan-2-yloxypropyl)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-2-(3-isopropoxypropyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-(3-propan-2-yloxypropyl)-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-(3-propan-2-yloxypropyl)isoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-2-(3-isopropoxypropyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C32H32N2O5 MolecularWeight: 524.60688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C=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)OCCCN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)CCC3=CC=CC=C3)C=C1C4=CC=C(C=C4)C#N

InChI

InChI=1S/C32H32N2O5/c1-22(2)38-17-7-16-34-21-27-26(18-28(34)25-13-10-24(20-33)11-14-25)19-29(35)32(3,31(27)37)39-30(36)15-12-23-8-5-4-6-9-23/h4-6,8-11,13-14,18-19,21-22H,7,12,15-17H2,1-3H3