5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(methylamino)-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(methylamino)-4-oxidanylidene-pentanoic acid Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(methylamino)-4-oxo-pentanoic acid CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(methylamino)-4-oxopentanoic acid IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(methylamino)-4-oxopentanoic acid Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-3-(methylamino)valeric acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC(=O)O)C(=O)CN1CCC2=CC=CC=C2C1

Isomeric SMILES

CNC(CC(=O)O)C(=O)CN1CCC2=CC=CC=C2C1

InChI

InChI=1S/C15H20N2O3/c1-16-13(8-15(19)20)14(18)10-17-7-6-11-4-2-3-5-12(11)9-17/h2-5,13,16H,6-10H2,1H3,(H,19,20)