2-[1-(carboxymethyl)indol-3-yl]-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-tert-butoxycarbonylpiperazin-1-yl)-2-[1-(carboxymethyl)indol-3-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid Traditional Name: 2-(4-tert-butoxycarbonylpiperazino)-2-[1-(carboxymethyl)indol-3-yl]acetic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O

InChI

InChI=1S/C21H27N3O6/c1-21(2,3)30-20(29)23-10-8-22(9-11-23)18(19(27)28)15-12-24(13-17(25)26)16-7-5-4-6-14(15)16/h4-7,12,18H,8-11,13H2,1-3H3,(H,25,26)(H,27,28)