2-azanyl-1-[4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-1-[4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-amino-1-[4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-amino-1-[4-(2-fluorophenyl)-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-amino-1-[4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-amino-1-[4-(2-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C20H21FN2O3 MolecularWeight: 356.390743

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C2=CC=CC=C21)C(=O)CCCC3=CC=CC=C3F)N)C(=O)O

Isomeric SMILES

C1C(N(C(C2=CC=CC=C21)C(=O)CCCC3=CC=CC=C3F)N)C(=O)O

InChI

InChI=1S/C20H21FN2O3/c21-16-10-4-2-6-13(16)8-5-11-18(24)19-15-9-3-1-7-14(15)12-17(20(25)26)23(19)22/h1-4,6-7,9-10,17,19H,5,8,11-12,22H2,(H,25,26)