2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylisoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylisoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(tert-butoxycarbonylamino)benzoyl]-4-isoquinolyl]acetic acid CAS Name: 2-[1-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethyl]-4-isoquinolinyl]acetic acid IUPAC Name: 2-[1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]isoquinolin-4-yl]acetic acid Traditional Name: 2-[1-[4-(tert-butoxycarbonylamino)benzoyl]-4-isoquinolyl]acetic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)C2=NC=C(C3=CC=CC=C32)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)C2=NC=C(C3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C23H22N2O5/c1-23(2,3)30-22(29)25-16-10-8-14(9-11-16)21(28)20-18-7-5-4-6-17(18)15(13-24-20)12-19(26)27/h4-11,13H,12H2,1-3H3,(H,25,29)(H,26,27)