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

Systemtic Name: 3-[4-[3-[[(4-butoxyphenyl)carbonyl-ethyl-amino]methyl]phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[[(4-butoxybenzoyl)-ethyl-amino]methyl]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[[(4-butoxyphenyl)-oxomethyl]-ethylamino]methyl]phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[[(4-butoxybenzoyl)-ethylamino]methyl]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[[(4-butoxybenzoyl)-ethyl-amino]methyl]phenyl]phenyl]propionic acid Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO4/c1-3-5-19-34-27-16-14-25(15-17-27)29(33)30(4-2)21-23-7-6-8-26(20-23)24-12-9-22(10-13-24)11-18-28(31)32/h6-10,12-17,20H,3-5,11,18-19,21H2,1-2H3,(H,31,32)