3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)propanoate

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)propanoate Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoate CAS Name: 3-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]propanoate IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoate Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propionate Formula: C13H15N2O3- MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NCCC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c16-12(17)5-7-14-13(18)15-8-6-10-3-1-2-4-11(10)9-15/h1-4H,5-9H2,(H,14,18)(H,16,17)/p-1