(3S)-2-(5-methylfuran-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-(5-methylfuran-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(5-methylfuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(5-methyl-2-furanyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(5-methylfuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(5-methyl-2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C16H14NO4- MolecularWeight: 284.28666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H15NO4/c1-10-6-7-14(21-10)15(18)17-9-12-5-3-2-4-11(12)8-13(17)16(19)20/h2-7,13H,8-9H2,1H3,(H,19,20)/p-1/t13-/m0/s1