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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC[C@H]1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H26N2O4/c1-5-13-12-19(15-9-7-6-8-14(15)16(21)22)10-11-20(13)17(23)24-18(2,3)4/h6-9,13H,5,10-12H2,1-4H3,(H,21,22)/t13-/m0/s1