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

Systemtic Name: [3-(4-cyanophenyl)-2-(2-methoxyethyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-2-(2-methoxyethyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-2-(2-methoxyethyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-2-(2-methoxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-6,8-diketo-2-(2-methoxyethyl)-7-methyl-7-isoquinolyl] ester Formula: C29H26N2O5 MolecularWeight: 482.52714

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H26N2O5/c1-29(36-27(33)13-10-20-6-4-3-5-7-20)26(32)17-23-16-25(22-11-8-21(18-30)9-12-22)31(14-15-35-2)19-24(23)28(29)34/h3-9,11-12,16-17,19H,10,13-15H2,1-2H3