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

Systemtic Name: (3S)-2-[(3-methyl-1,2-oxazol-5-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(3-methylisoxazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(3-methyl-5-isoxazolyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(3-methyl-1,2-oxazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(3-methylisoxazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H13N2O4- MolecularWeight: 285.27472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)[O-]

InChI

InChI=1S/C15H14N2O4/c1-9-6-13(21-16-9)14(18)17-8-11-5-3-2-4-10(11)7-12(17)15(19)20/h2-6,12H,7-8H2,1H3,(H,19,20)/p-1/t12-/m0/s1