2-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-3-yl]ethanoic acid

Systemtic Name: 2-[1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinolin-3-yl]ethanoic acid Openeye Name: 2-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-3-yl)acetic acid CAS Name: 2-[1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinolin-3-yl]acetic acid IUPAC Name: 2-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-3-yl)acetic acid Traditional Name: 2-(2-benzyl-1-keto-3,4-dihydroisoquinolin-3-yl)acetic acid Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1C(N(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C18H17NO3/c20-17(21)11-15-10-14-8-4-5-9-16(14)18(22)19(15)12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,20,21)