3-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-5-isoquinolin-6-yl-benzoic acid

Systemtic Name: 3-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-5-isoquinolin-6-yl-benzoic acid Openeye Name: 3-[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propoxy]-5-(6-isoquinolyl)benzoic acid CAS Name: 3-[3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]-5-(6-isoquinolinyl)benzoic acid IUPAC Name: 3-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-5-isoquinolin-6-ylbenzoic acid Traditional Name: 3-[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propoxy]-5-(6-isoquinolyl)benzoic acid Formula: C32H31N3O5 MolecularWeight: 537.60564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)COC3=CC(=CC(=C3)C(=O)O)C4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)COC3=CC(=CC(=C3)C(=O)O)C4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C32H31N3O5/c1-32(2,3)40-31(38)35-26(14-25-18-34-29-7-5-4-6-28(25)29)19-39-27-15-23(13-24(16-27)30(36)37)20-8-9-22-17-33-11-10-21(22)12-20/h4-13,15-18,26,34H,14,19H2,1-3H3,(H,35,38)(H,36,37)