2-[(2,4-dichlorophenyl)carbonyl-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)-[[5-(4-methoxyphenyl)-2-thienyl]methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-[[5-(4-methoxyphenyl)-2-thiophenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)-[[5-(4-methoxyphenyl)-2-thienyl]methyl]amino]-3-phenyl-propionic acid Formula: C28H23Cl2NO4S MolecularWeight: 540.45752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(S2)CN(C(CC3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(S2)CN(C(CC3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H23Cl2NO4S/c1-35-21-10-7-19(8-11-21)26-14-12-22(36-26)17-31(27(32)23-13-9-20(29)16-24(23)30)25(28(33)34)15-18-5-3-2-4-6-18/h2-14,16,25H,15,17H2,1H3,(H,33,34)