2-[2-[(2-bromophenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(2-bromophenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-[(2-bromophenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(2-bromoanilino)-oxomethyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-[(2-bromophenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-[(2-bromophenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C22H25BrN2O5 MolecularWeight: 477.3483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC=CC=C3Br)CC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC=CC=C3Br)CC(=O)O)OCC

InChI

InChI=1S/C22H25BrN2O5/c1-3-29-19-11-14-9-10-25(22(28)24-17-8-6-5-7-16(17)23)18(13-21(26)27)15(14)12-20(19)30-4-2/h5-8,11-12,18H,3-4,9-10,13H2,1-2H3,(H,24,28)(H,26,27)