(3S)-2-(2-ethoxyethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-(2-ethoxyethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(2-ethoxyacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-(2-ethoxy-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(2-ethoxyacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(2-ethoxyacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C14H16NO4- MolecularWeight: 262.28114

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]

Isomeric SMILES

CCOCC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)[O-]

InChI

InChI=1S/C14H17NO4/c1-2-19-9-13(16)15-8-11-6-4-3-5-10(11)7-12(15)14(17)18/h3-6,12H,2,7-9H2,1H3,(H,17,18)/p-1/t12-/m0/s1