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

Systemtic Name: [3-(4-cyanophenyl)-2-(cyclopropylmethyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-2-(cyclopropylmethyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-2-(cyclopropylmethyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-2-(cyclopropylmethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-2-(cyclopropylmethyl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C30H26N2O4 MolecularWeight: 478.53844

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3CC3)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)CC3CC3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C30H26N2O4/c1-30(36-28(34)14-11-20-5-3-2-4-6-20)27(33)16-24-15-26(23-12-9-21(17-31)10-13-23)32(18-22-7-8-22)19-25(24)29(30)35/h2-6,9-10,12-13,15-16,19,22H,7-8,11,14,18H2,1H3