(3R)-1-oxidanylidene-2-phenethyl-3,4-dihydroisoquinoline-3-carboxylate

Systemtic Name: (3R)-1-oxidanylidene-2-phenethyl-3,4-dihydroisoquinoline-3-carboxylate Openeye Name: (3R)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-3-carboxylate CAS Name: (3R)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-3-carboxylate IUPAC Name: (3R)-1-oxo-2-phenethyl-3,4-dihydroisoquinoline-3-carboxylate Traditional Name: (3R)-1-keto-2-phenethyl-3,4-dihydroisoquinoline-3-carboxylate Formula: C18H16NO3- MolecularWeight: 294.32454

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)C2=CC=CC=C21)CCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(C(=O)C2=CC=CC=C21)CCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H17NO3/c20-17-15-9-5-4-8-14(15)12-16(18(21)22)19(17)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,21,22)/p-1/t16-/m1/s1