3-[2-(3-methoxyphenyl)ethyl-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid

Systemtic Name: 3-[2-(3-methoxyphenyl)ethyl-[1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonyl-amino]propanoic acid Openeye Name: 3-[2-(3-methoxyphenyl)ethyl-[1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[2-(3-methoxyphenyl)ethyl-[oxo-[1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[2-(3-methoxyphenyl)ethyl-[1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[2-(3-methoxyphenyl)ethyl-[1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]propionic acid Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCN(CCC(=O)O)C(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

Isomeric SMILES

COC1=CC=CC(=C1)CCN(CCC(=O)O)C(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

InChI

InChI=1S/C26H39N3O5/c1-34-23-6-2-4-21(18-23)11-16-28(17-12-25(31)32)26(33)22-5-3-15-29(19-22)24(30)8-7-20-9-13-27-14-10-20/h2,4,6,18,20,22,27H,3,5,7-17,19H2,1H3,(H,31,32)