(3S)-2-(propan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-(propan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(isopropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[oxo-(propan-2-ylamino)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(propan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(isopropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C14H17N2O3- MolecularWeight: 261.29638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-9(2)15-14(19)16-8-11-6-4-3-5-10(11)7-12(16)13(17)18/h3-6,9,12H,7-8H2,1-2H3,(H,15,19)(H,17,18)/p-1/t12-/m0/s1