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

Systemtic Name: ethyl 2-(3-methyl-4-propan-2-yl-phenyl)-4-oxidanyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: ethyl 4-hydroxy-2-(4-isopropyl-3-methyl-phenyl)-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-hydroxy-2-(3-methyl-4-propan-2-ylphenyl)-1,3-dioxo-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-2-(3-methyl-4-propan-2-ylphenyl)-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-hydroxy-2-(4-isopropyl-3-methyl-phenyl)-1,3-diketo-isoquinoline-4-carboxylic acid ethyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)C(C)C)C)O

Isomeric SMILES

CCOC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=C(C=C3)C(C)C)C)O

InChI

InChI=1S/C22H23NO5/c1-5-28-21(26)22(27)18-9-7-6-8-17(18)19(24)23(20(22)25)15-10-11-16(13(2)3)14(4)12-15/h6-13,27H,5H2,1-4H3