methyl (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)butanoate

Systemtic Name: methyl (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonylamino)butanoate Openeye Name: methyl (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)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)C1CC2=CC=CC=C2CN1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1CC2=CC=CC=C2CN1

InChI

InChI=1S/C16H22N2O3/c1-10(2)14(16(20)21-3)18-15(19)13-8-11-6-4-5-7-12(11)9-17-13/h4-7,10,13-14,17H,8-9H2,1-3H3,(H,18,19)/t13?,14-/m0/s1