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

Systemtic Name: 3-[3-butoxy-4-[3-[[(4-methoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[3-[[(4-methoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[3-[[[(4-methoxyphenyl)-oxomethyl]-methylamino]methyl]phenyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[3-[[(4-methoxybenzoyl)-methylamino]methyl]phenyl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[3-[[methyl(p-anisoyl)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=C(C=C3)OC

Isomeric SMILES

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

InChI

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