2-[3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[3-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[3-(4-hydroxy-2,6-dimethylphenyl)-2-methyl-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[3-(4-hydroxy-2,6-dimethylphenyl)-2-methylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[3-(4-hydroxy-2,6-dimethyl-phenyl)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O)C)O

InChI

InChI=1S/C22H25NO4/c1-13-8-18(24)9-14(2)19(13)10-15(3)21(25)23-12-17-7-5-4-6-16(17)11-20(23)22(26)27/h4-9,15,20,24H,10-12H2,1-3H3,(H,26,27)