3-[5-[3-[(4-butoxyphenyl)carbamoyl-ethyl-amino]phenyl]thiophen-2-yl]propanoic acid

Systemtic Name: 3-[5-[3-[(4-butoxyphenyl)carbamoyl-ethyl-amino]phenyl]thiophen-2-yl]propanoic acid Openeye Name: 3-[5-[3-[(4-butoxyphenyl)carbamoyl-ethyl-amino]phenyl]-2-thienyl]propanoic acid CAS Name: 3-[5-[3-[[(4-butoxyanilino)-oxomethyl]-ethylamino]phenyl]-2-thiophenyl]propanoic acid IUPAC Name: 3-[5-[3-[(4-butoxyphenyl)carbamoyl-ethylamino]phenyl]thiophen-2-yl]propanoic acid Traditional Name: 3-[5-[3-[(4-butoxyphenyl)carbamoyl-ethyl-amino]phenyl]-2-thienyl]propionic acid Formula: C26H30N2O4S MolecularWeight: 466.5924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)N(CC)C2=CC=CC(=C2)C3=CC=C(S3)CCC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)N(CC)C2=CC=CC(=C2)C3=CC=C(S3)CCC(=O)O

InChI

InChI=1S/C26H30N2O4S/c1-3-5-17-32-22-11-9-20(10-12-22)27-26(31)28(4-2)21-8-6-7-19(18-21)24-15-13-23(33-24)14-16-25(29)30/h6-13,15,18H,3-5,14,16-17H2,1-2H3,(H,27,31)(H,29,30)