2-[[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid Openeye Name: 2-[[(3S)-4-tert-butoxycarbonyl-3-methyl-piperazin-1-yl]methyl]benzoic acid CAS Name: 2-[[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 2-[[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid Traditional Name: 2-[[(3S)-4-tert-butoxycarbonyl-3-methyl-piperazino]methyl]benzoic acid Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H26N2O4/c1-13-11-19(9-10-20(13)17(23)24-18(2,3)4)12-14-7-5-6-8-15(14)16(21)22/h5-8,13H,9-12H2,1-4H3,(H,21,22)/t13-/m0/s1