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

Systemtic Name: (3S)-2-(2-acetamidoethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(2-acetamidoacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-(2-acetamido-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(2-acetamidoacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-(2-acetamidoacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-9(17)15-7-13(18)16-8-11-5-3-2-4-10(11)6-12(16)14(19)20/h2-5,12H,6-8H2,1H3,(H,15,17)(H,19,20)/t12-/m0/s1