3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-yl-amino]-4-(2-oxidanylpropoxy)-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-yl-amino]-4-(2-oxidanylpropoxy)-1H-indole-2-carboxylic acid Openeye Name: 3-[tert-butoxycarbonyl(isopropyl)amino]-4-(2-hydroxypropoxy)-1H-indole-2-carboxylic acid CAS Name: 4-(2-hydroxypropoxy)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-propan-2-ylamino]-1H-indole-2-carboxylic acid IUPAC Name: 4-(2-hydroxypropoxy)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]-1H-indole-2-carboxylic acid Traditional Name: 3-[tert-butoxycarbonyl(isopropyl)amino]-4-(2-hydroxypropoxy)-1H-indole-2-carboxylic acid Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(NC2=C1C(=CC=C2)OCC(C)O)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(C1=C(NC2=C1C(=CC=C2)OCC(C)O)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O6/c1-11(2)22(19(26)28-20(4,5)6)17-15-13(21-16(17)18(24)25)8-7-9-14(15)27-10-12(3)23/h7-9,11-12,21,23H,10H2,1-6H3,(H,24,25)