2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C16H22N2O3/c1-11(2)15(16(20)21)17-9-14(19)18-8-7-12-5-3-4-6-13(12)10-18/h3-6,11,15,17H,7-10H2,1-2H3,(H,20,21)