methyl (3S)-3-azanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-3-azanyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-3-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoate CAS Name: (3S)-3-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-3-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoate Traditional Name: (3S)-3-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyric acid methyl ester Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)N1CCC2=CC=CC=C2C1)N

Isomeric SMILES

COC(=O)C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)N

InChI

InChI=1S/C14H18N2O3/c1-19-13(17)8-12(15)14(18)16-7-6-10-4-2-3-5-11(10)9-16/h2-5,12H,6-9,15H2,1H3/t12-/m0/s1