2-azanyl-3-[6-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]pyridin-2-yl]propanoic acid Openeye Name: 3-[6-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-2-pyridyl]-2-amino-propanoic acid CAS Name: 3-[6-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-2-pyridinyl]-2-aminopropanoic acid IUPAC Name: 3-[6-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]pyridin-2-yl]-2-aminopropanoic acid Traditional Name: 3-[6-[[4-(4-acetylphenyl)piperazino]methyl]-2-pyridyl]-2-amino-propionic acid Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC(=N3)CC(C(=O)O)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC(=N3)CC(C(=O)O)N

InChI

InChI=1S/C21H26N4O3/c1-15(26)16-5-7-19(8-6-16)25-11-9-24(10-12-25)14-18-4-2-3-17(23-18)13-20(22)21(27)28/h2-8,20H,9-14,22H2,1H3,(H,27,28)