6-tert-butyl-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(CN1C(=O)O)C=CC(=C2)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1C(C2=C(CN1C(=O)O)C=CC(=C2)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c1-14-19(15-8-6-5-7-9-15)18-12-17(21(2,3)4)11-10-16(18)13-22(14)20(23)24/h5-12,14,19H,13H2,1-4H3,(H,23,24)