4-[(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@@H]1CN(CCN1C2=CC=C(C=C2)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H26N2O4/c1-5-14-12-19(17(23)24-18(2,3)4)10-11-20(14)15-8-6-13(7-9-15)16(21)22/h6-9,14H,5,10-12H2,1-4H3,(H,21,22)/t14-/m1/s1