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

Systemtic Name: 2-[2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-bromo-3-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(4-bromo-3-methylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(4-bromo-3-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(4-bromo-3-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C19H19BrN2O3 MolecularWeight: 403.26976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)N2CCC3=CC=CC=C3C2CC(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)N2CCC3=CC=CC=C3C2CC(=O)O)Br

InChI

InChI=1S/C19H19BrN2O3/c1-12-10-14(6-7-16(12)20)21-19(25)22-9-8-13-4-2-3-5-15(13)17(22)11-18(23)24/h2-7,10,17H,8-9,11H2,1H3,(H,21,25)(H,23,24)