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

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

CC(C(=O)O)N(CCC1=CC(=CC=C1)OC)C(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

Isomeric SMILES

CC(C(=O)O)N(CCC1=CC(=CC=C1)OC)C(=O)C2CCCN(C2)C(=O)CCC3CCNCC3

InChI

InChI=1S/C26H39N3O5/c1-19(26(32)33)29(16-12-21-5-3-7-23(17-21)34-2)25(31)22-6-4-15-28(18-22)24(30)9-8-20-10-13-27-14-11-20/h3,5,7,17,19-20,22,27H,4,6,8-16,18H2,1-2H3,(H,32,33)