3-[phenethyl-[4-(4-pyridin-4-ylpiperazin-1-yl)carbonylpiperidin-1-yl]amino]propanoic acid

Systemtic Name: 3-[phenethyl-[4-(4-pyridin-4-ylpiperazin-1-yl)carbonylpiperidin-1-yl]amino]propanoic acid Openeye Name: 3-[phenethyl-[4-[4-(4-pyridyl)piperazine-1-carbonyl]-1-piperidyl]amino]propanoic acid CAS Name: 3-[[4-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]-1-piperidinyl]-phenethylamino]propanoic acid IUPAC Name: 3-[phenethyl-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid Traditional Name: 3-[phenethyl-[4-[4-(4-pyridyl)piperazine-1-carbonyl]piperidino]amino]propionic acid Formula: C26H35N5O3 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=NC=C3)N(CCC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=NC=C3)N(CCC4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C26H35N5O3/c32-25(33)11-17-30(14-8-22-4-2-1-3-5-22)31-15-9-23(10-16-31)26(34)29-20-18-28(19-21-29)24-6-12-27-13-7-24/h1-7,12-13,23H,8-11,14-21H2,(H,32,33)