2-methyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]-1H-indole-3-carboxylic acid

Systemtic Name: 2-methyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]-1H-indole-3-carboxylic acid Openeye Name: 5-[2-(4-tert-butoxycarbonylpiperazin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid CAS Name: 2-methyl-5-[2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]ethoxy]-1H-indole-3-carboxylic acid IUPAC Name: 2-methyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]-1H-indole-3-carboxylic acid Traditional Name: 5-[2-(4-tert-butoxycarbonylpiperazino)ethoxy]-2-methyl-1H-indole-3-carboxylic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OCCN3CCN(CC3)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OCCN3CCN(CC3)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H29N3O5/c1-14-18(19(25)26)16-13-15(5-6-17(16)22-14)28-12-11-23-7-9-24(10-8-23)20(27)29-21(2,3)4/h5-6,13,22H,7-12H2,1-4H3,(H,25,26)