3-bromanyl-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]-1H-indole-2-carboxylic acid

Systemtic Name: 3-bromanyl-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]-1H-indole-2-carboxylic acid Openeye Name: 3-bromo-5-[(1-tert-butoxycarbonyl-4-piperidyl)methoxy]-1H-indole-2-carboxylic acid CAS Name: 3-bromo-5-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]methoxy]-1H-indole-2-carboxylic acid IUPAC Name: 3-bromo-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]-1H-indole-2-carboxylic acid Traditional Name: 3-bromo-5-[(1-tert-butoxycarbonyl-4-piperidyl)methoxy]-1H-indole-2-carboxylic acid Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC3=C(C=C2)NC(=C3Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC3=C(C=C2)NC(=C3Br)C(=O)O

InChI

InChI=1S/C20H25BrN2O5/c1-20(2,3)28-19(26)23-8-6-12(7-9-23)11-27-13-4-5-15-14(10-13)16(21)17(22-15)18(24)25/h4-5,10,12,22H,6-9,11H2,1-3H3,(H,24,25)