methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: methyl (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-methyl-butyric acid methyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C16H22N2O3/c1-11(2)14(15(19)21-3)17-16(20)18-9-8-12-6-4-5-7-13(12)10-18/h4-7,11,14H,8-10H2,1-3H3,(H,17,20)/t14-/m0/s1