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

Systemtic Name: [3-(4-cyanophenyl)-2-(furan-2-ylmethyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-cyanophenyl)-2-(2-furylmethyl)-7-methyl-6,8-dioxo-7-isoquinolyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-cyanophenyl)-2-(2-furanylmethyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester IUPAC Name: [3-(4-cyanophenyl)-2-(furan-2-ylmethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-cyanophenyl)-2-(2-furfuryl)-6,8-diketo-7-methyl-7-isoquinolyl] ester Formula: C31H24N2O5 MolecularWeight: 504.53266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CO3)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)CC3=CC=CO3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C31H24N2O5/c1-31(38-29(35)14-11-21-6-3-2-4-7-21)28(34)17-24-16-27(23-12-9-22(18-32)10-13-23)33(20-26(24)30(31)36)19-25-8-5-15-37-25/h2-10,12-13,15-17,20H,11,14,19H2,1H3