3-[3-butoxy-4-[3-[[(3-methoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]propanoic acid

Systemtic Name: 3-[3-butoxy-4-[3-[[(3-methoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[3-[[(3-methoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[3-[[[(3-methoxyphenyl)-oxomethyl]-methylamino]methyl]phenyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[3-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[3-[[m-anisoyl(methyl)amino]methyl]phenyl]phenyl]propionic acid Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CCC(=O)O)C2=CC(=CC=C2)CN(C)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CCC(=O)O)C2=CC(=CC=C2)CN(C)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C29H33NO5/c1-4-5-16-35-27-18-21(13-15-28(31)32)12-14-26(27)23-9-6-8-22(17-23)20-30(2)29(33)24-10-7-11-25(19-24)34-3/h6-12,14,17-19H,4-5,13,15-16,20H2,1-3H3,(H,31,32)