3-[(2-chloranyl-4-propoxy-phenyl)carbonylamino]-2-propan-2-yloxy-2-(4-thiophen-3-ylphenyl)butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClNO5S/c1-5-13-33-22-10-11-23(24(28)15-22)25(30)29-18(4)27(26(31)32,34-17(2)3)21-8-6-19(7-9-21)20-12-14-35-16-20/h6-12,14-18H,5,13H2,1-4H3,(H,29,30)(H,31,32)