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

Systemtic Name: 3-[4-[3-[(4-butoxyphenyl)carbamoyl-ethyl-amino]phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[(4-butoxyphenyl)carbamoyl-ethyl-amino]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[(4-butoxyanilino)-oxomethyl]-ethylamino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[(4-butoxyphenyl)carbamoyl-ethylamino]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[(4-butoxyphenyl)carbamoyl-ethyl-amino]phenyl]phenyl]propionic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4/c1-3-5-19-34-26-16-14-24(15-17-26)29-28(33)30(4-2)25-8-6-7-23(20-25)22-12-9-21(10-13-22)11-18-27(31)32/h6-10,12-17,20H,3-5,11,18-19H2,1-2H3,(H,29,33)(H,31,32)