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

Systemtic Name: 3-[4-[3-[[(4-butoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[[(4-butoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[[(4-butoxyphenyl)-oxomethyl]-methylamino]methyl]phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[[(4-butoxybenzoyl)-methylamino]methyl]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[[(4-butoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]propionic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(C)CC2=CC=CC(=C2)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(C)CC2=CC=CC(=C2)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C28H31NO4/c1-3-4-18-33-26-15-13-24(14-16-26)28(32)29(2)20-22-6-5-7-25(19-22)23-11-8-21(9-12-23)10-17-27(30)31/h5-9,11-16,19H,3-4,10,17-18,20H2,1-2H3,(H,30,31)