(3S)-2-[(5-methyl-1,2-oxazol-4-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[(5-methyl-1,2-oxazol-4-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(5-methylisoxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[(5-methyl-4-isoxazolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(5-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-(5-methylisoxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NO1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CC1=C(C=NO1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O

InChI

InChI=1S/C15H14N2O4/c1-9-12(7-16-21-9)14(18)17-8-11-5-3-2-4-10(11)6-13(17)15(19)20/h2-5,7,13H,6,8H2,1H3,(H,19,20)/t13-/m0/s1