2-[2-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(4-bromo-2-fluoroanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(4-bromo-2-fluoro-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C18H16BrFN2O3 MolecularWeight: 407.233643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)O)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H16BrFN2O3/c19-12-5-6-15(14(20)9-12)21-18(25)22-8-7-11-3-1-2-4-13(11)16(22)10-17(23)24/h1-6,9,16H,7-8,10H2,(H,21,25)(H,23,24)