ethyl 2-(3-methyl-4-propan-2-yl-phenyl)-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: ethyl 2-(3-methyl-4-propan-2-yl-phenyl)-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: ethyl 2-(4-isopropyl-3-methyl-phenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-(3-methyl-4-propan-2-ylphenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-4-propan-2-ylphenyl)-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 2-(4-isopropyl-3-methyl-phenyl)-1,3-diketo-4H-isoquinoline-4-carboxylic acid ethyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C22H23NO4/c1-5-27-22(26)19-17-8-6-7-9-18(17)20(24)23(21(19)25)15-10-11-16(13(2)3)14(4)12-15/h6-13,19H,5H2,1-4H3