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

Systemtic Name: 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 2-[(3S)-3-benzyl-4-tert-butoxycarbonyl-piperazin-1-yl]benzoic acid CAS Name: 2-[(3S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(phenylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 2-[(3S)-3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[(3S)-3-benzyl-4-tert-butoxycarbonyl-piperazino]benzoic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C[C@@H]1CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H28N2O4/c1-23(2,3)29-22(28)25-14-13-24(20-12-8-7-11-19(20)21(26)27)16-18(25)15-17-9-5-4-6-10-17/h4-12,18H,13-16H2,1-3H3,(H,26,27)/t18-/m0/s1