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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CC2=CC=CC=C12)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

C[C@@H]1[C@H](N(CC2=CC=CC=C12)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-10-12-8-6-5-7-11(12)9-17(13(10)14(18)19)15(20)21-16(2,3)4/h5-8,10,13H,9H2,1-4H3,(H,18,19)/t10-,13-/m0/s1