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

Systemtic Name: 4-[[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-propyl-piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[(3S)-4-tert-butoxycarbonyl-3-propyl-piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[(3S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-propyl-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-propylpiperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[(3S)-4-tert-butoxycarbonyl-3-propyl-piperazino]methyl]benzoic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC[C@H]1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H30N2O4/c1-5-6-17-14-21(11-12-22(17)19(25)26-20(2,3)4)13-15-7-9-16(10-8-15)18(23)24/h7-10,17H,5-6,11-14H2,1-4H3,(H,23,24)/t17-/m0/s1