2-[4-(2-methylpyridin-4-yl)-1-phenylmethoxycarbonyl-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(2-methylpyridin-4-yl)-1-phenylmethoxycarbonyl-piperazin-2-yl]ethanoic acid Openeye Name: 2-[1-benzyloxycarbonyl-4-(2-methyl-4-pyridyl)piperazin-2-yl]acetic acid CAS Name: 2-[4-(2-methyl-4-pyridinyl)-1-phenylmethoxycarbonyl-2-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-methylpyridin-4-yl)-1-phenylmethoxycarbonylpiperazin-2-yl]acetic acid Traditional Name: 2-[1-carbobenzoxy-4-(2-methyl-4-pyridyl)piperazin-2-yl]acetic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCN(C(C2)CC(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=CC(=C1)N2CCN(C(C2)CC(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4/c1-15-11-17(7-8-21-15)22-9-10-23(18(13-22)12-19(24)25)20(26)27-14-16-5-3-2-4-6-16/h2-8,11,18H,9-10,12-14H2,1H3,(H,24,25)