3-[3-butoxy-4-[5-[[(3-methoxyphenyl)carbonyl-methyl-amino]methyl]thiophen-3-yl]phenyl]propanoic acid

Systemtic Name: 3-[3-butoxy-4-[5-[[(3-methoxyphenyl)carbonyl-methyl-amino]methyl]thiophen-3-yl]phenyl]propanoic acid Openeye Name: 3-[3-butoxy-4-[5-[[(3-methoxybenzoyl)-methyl-amino]methyl]-3-thienyl]phenyl]propanoic acid CAS Name: 3-[3-butoxy-4-[5-[[[(3-methoxyphenyl)-oxomethyl]-methylamino]methyl]-3-thiophenyl]phenyl]propanoic acid IUPAC Name: 3-[3-butoxy-4-[5-[[(3-methoxybenzoyl)-methylamino]methyl]thiophen-3-yl]phenyl]propanoic acid Traditional Name: 3-[3-butoxy-4-[5-[[m-anisoyl(methyl)amino]methyl]-3-thienyl]phenyl]propionic acid Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)CCC(=O)O)C2=CSC(=C2)CN(C)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)CCC(=O)O)C2=CSC(=C2)CN(C)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C27H31NO5S/c1-4-5-13-33-25-14-19(10-12-26(29)30)9-11-24(25)21-16-23(34-18-21)17-28(2)27(31)20-7-6-8-22(15-20)32-3/h6-9,11,14-16,18H,4-5,10,12-13,17H2,1-3H3,(H,29,30)