1-azanyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]carbonyl-3,4-dihydroisoquinoline-2-carboxylic acid

Systemtic Name: 1-azanyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]carbonyl-3,4-dihydroisoquinoline-2-carboxylic acid Openeye Name: 1-amino-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-3,4-dihydroisoquinoline-2-carboxylic acid CAS Name: 1-amino-1-[oxo-[2-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3,4-dihydroisoquinoline-2-carboxylic acid IUPAC Name: 1-amino-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-3,4-dihydroisoquinoline-2-carboxylic acid Traditional Name: 1-amino-1-[2-[4-(trifluoromethyl)phenyl]benzoyl]-3,4-dihydroisoquinoline-2-carboxylic acid Formula: C24H19F3N2O3 MolecularWeight: 440.41447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)(C(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)N)C(=O)O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)(C(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)N)C(=O)O

InChI

InChI=1S/C24H19F3N2O3/c25-24(26,27)17-11-9-15(10-12-17)18-6-2-3-7-19(18)21(30)23(28)20-8-4-1-5-16(20)13-14-29(23)22(31)32/h1-12H,13-14,28H2,(H,31,32)