3-[2-[[(2-chloranyl-4-propoxy-phenyl)carbonylamino]methyl]-4-thiophen-2-yl-phenyl]-3-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[2-[[(2-chloranyl-4-propoxy-phenyl)carbonylamino]methyl]-4-thiophen-2-yl-phenyl]-3-propan-2-yloxy-propanoic acid Openeye Name: 3-[2-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-(2-thienyl)phenyl]-3-isopropoxy-propanoic acid CAS Name: 3-[2-[[[(2-chloro-4-propoxyphenyl)-oxomethyl]amino]methyl]-4-thiophen-2-ylphenyl]-3-propan-2-yloxypropanoic acid IUPAC Name: 3-[2-[[(2-chloro-4-propoxybenzoyl)amino]methyl]-4-thiophen-2-ylphenyl]-3-propan-2-yloxypropanoic acid Traditional Name: 3-[2-[[(2-chloro-4-propoxy-benzoyl)amino]methyl]-4-(2-thienyl)phenyl]-3-isopropoxy-propionic acid Formula: C27H30ClNO5S MolecularWeight: 516.0488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C(=O)NCC2=C(C=CC(=C2)C3=CC=CS3)C(CC(=O)O)OC(C)C)Cl

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C(=O)NCC2=C(C=CC(=C2)C3=CC=CS3)C(CC(=O)O)OC(C)C)Cl

InChI

InChI=1S/C27H30ClNO5S/c1-4-11-33-20-8-10-22(23(28)14-20)27(32)29-16-19-13-18(25-6-5-12-35-25)7-9-21(19)24(15-26(30)31)34-17(2)3/h5-10,12-14,17,24H,4,11,15-16H2,1-3H3,(H,29,32)(H,30,31)