3-[4-(phenoxymethyl)-2-(4-phenoxypiperidin-1-yl)carbonyl-phenyl]propanoic acid

Systemtic Name: 3-[4-(phenoxymethyl)-2-(4-phenoxypiperidin-1-yl)carbonyl-phenyl]propanoic acid Openeye Name: 3-[4-(phenoxymethyl)-2-(4-phenoxypiperidine-1-carbonyl)phenyl]propanoic acid CAS Name: 3-[2-[oxo-(4-phenoxy-1-piperidinyl)methyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[4-(phenoxymethyl)-2-(4-phenoxypiperidine-1-carbonyl)phenyl]propanoic acid Traditional Name: 3-[4-(phenoxymethyl)-2-(4-phenoxypiperidine-1-carbonyl)phenyl]propionic acid Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)COC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1CN(CCC1OC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)COC4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C28H29NO5/c30-27(31)14-13-22-12-11-21(20-33-23-7-3-1-4-8-23)19-26(22)28(32)29-17-15-25(16-18-29)34-24-9-5-2-6-10-24/h1-12,19,25H,13-18,20H2,(H,30,31)