(3S)-2-(2-chloranylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-(2-chloranylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-(2-chloro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCl)C(=O)O

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)CCl)C(=O)O

InChI

InChI=1S/C12H12ClNO3/c13-6-11(15)14-7-9-4-2-1-3-8(9)5-10(14)12(16)17/h1-4,10H,5-7H2,(H,16,17)/t10-/m0/s1