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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(COC1=CC=CC2=C1C=C(N2)C(=O)O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(CC(COC1=CC=CC2=C1C=C(N2)C(=O)O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O6/c1-12(2)22(19(26)28-20(3,4)5)10-13(23)11-27-17-8-6-7-15-14(17)9-16(21-15)18(24)25/h6-9,12-13,21,23H,10-11H2,1-5H3,(H,24,25)