6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-[2-(tert-butoxycarbonylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 6-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-[2-(tert-butoxycarbonylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1C2=CC3=C(CN(CC3)C(=O)O)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1C2=CC3=C(CN(CC3)C(=O)O)C=C2

InChI

InChI=1S/C21H24N2O4/c1-21(2,3)27-19(24)22-18-7-5-4-6-17(18)15-8-9-16-13-23(20(25)26)11-10-14(16)12-15/h4-9,12H,10-11,13H2,1-3H3,(H,22,24)(H,25,26)