(3S)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-tert-butoxycarbonyl-5-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-5-methyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-tert-butoxycarbonyl-5-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1CC(N(C2)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-10-6-5-7-11-9-17(15(20)21-16(2,3)4)13(14(18)19)8-12(10)11/h5-7,13H,8-9H2,1-4H3,(H,18,19)/t13-/m0/s1