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

Systemtic Name: (3S)-2-(butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[butylamino(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H19N2O3- MolecularWeight: 275.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-2-3-8-16-15(20)17-10-12-7-5-4-6-11(12)9-13(17)14(18)19/h4-7,13H,2-3,8-10H2,1H3,(H,16,20)(H,18,19)/p-1/t13-/m0/s1