3-[1-[3-(4-methoxyphenyl)-2-(3-piperidin-4-ylpropanoylamino)propanoyl]piperidin-4-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)N2CCC(CC2)CCC(=O)O)NC(=O)CCC3CCNCC3

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)N2CCC(CC2)CCC(=O)O)NC(=O)CCC3CCNCC3

InChI

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