2-(1,2-dihydroisoquinolin-1-yl)ethanoic acid; propan-2-one

Systemtic Name: 2-(1,2-dihydroisoquinolin-1-yl)ethanoic acid; propan-2-one Openeye Name: acetone; 2-(1,2-dihydroisoquinolin-1-yl)acetic acid CAS Name: 2-(1,2-dihydroisoquinolin-1-yl)acetic acid; 2-propanone IUPAC Name: 2-(1,2-dihydroisoquinolin-1-yl)acetic acid; propan-2-one Traditional Name: acetone; 2-(1,2-dihydroisoquinolin-1-yl)acetic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.C1=CC=C2C(NC=CC2=C1)CC(=O)O

Isomeric SMILES

CC(=O)C.C1=CC=C2C(NC=CC2=C1)CC(=O)O

InChI

InChI=1S/C11H11NO2.C3H6O/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10;1-3(2)4/h1-6,10,12H,7H2,(H,13,14);1-2H3