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

Systemtic Name: 3-[4-[3-[(4-butoxyphenyl)carbamoyl-methyl-amino]phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[(4-butoxyphenyl)carbamoyl-methyl-amino]phenyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[[(4-butoxyanilino)-oxomethyl]-methylamino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[(4-butoxyphenyl)carbamoyl-methylamino]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[(4-butoxyphenyl)carbamoyl-methyl-amino]phenyl]phenyl]propionic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-3-4-18-33-25-15-13-23(14-16-25)28-27(32)29(2)24-7-5-6-22(19-24)21-11-8-20(9-12-21)10-17-26(30)31/h5-9,11-16,19H,3-4,10,17-18H2,1-2H3,(H,28,32)(H,30,31)