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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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