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

Systemtic Name: 3-[3-butoxy-4-[3-[[(4-butoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[3-[[(4-butoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[3-[[[(4-butoxyphenyl)-oxomethyl]-methylamino]methyl]phenyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[3-[[(4-butoxybenzoyl)-methylamino]methyl]phenyl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[3-[[(4-butoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]propionic acid Formula: C32H39NO5 MolecularWeight: 517.65576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H39NO5/c1-4-6-19-37-28-15-13-26(14-16-28)32(36)33(3)23-25-9-8-10-27(21-25)29-17-11-24(12-18-31(34)35)22-30(29)38-20-7-5-2/h8-11,13-17,21-22H,4-7,12,18-20,23H2,1-3H3,(H,34,35)