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

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)-[[4-(4-methoxyphenyl)-2-thienyl]methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-[[4-(4-methoxyphenyl)-2-thiophenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)-[[4-(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=CSC(=C2)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=CSC(=C2)CN(C(CC3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

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