(3R)-2-(oxan-4-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-(oxan-4-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(tetrahydropyran-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[4-oxanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(oxane-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(tetrahydropyran-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C16H18NO4- MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

C1COCCC1C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)[O-]

InChI

InChI=1S/C16H19NO4/c18-15(11-5-7-21-8-6-11)17-10-13-4-2-1-3-12(13)9-14(17)16(19)20/h1-4,11,14H,5-10H2,(H,19,20)/p-1/t14-/m1/s1