3-(4-tert-butylphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)O

InChI

InChI=1S/C21H23NO3/c1-21(2,3)14-11-9-13(10-12-14)18-17(20(24)25)15-7-5-6-8-16(15)19(23)22(18)4/h5-12,17-18H,1-4H3,(H,24,25)