2-(4-tert-butylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-tert-butylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-tert-butylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-tert-butylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-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)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C21H23NO3/c1-21(2,3)17-10-8-14(9-11-17)19(23)22-13-16-7-5-4-6-15(16)12-18(22)20(24)25/h4-11,18H,12-13H2,1-3H3,(H,24,25)