2-[3-(1-benzofuran-2-yl)prop-2-ynyl-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-(1-benzofuran-2-yl)prop-2-ynyl-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[3-(benzofuran-2-yl)prop-2-ynyl-(2,4-dichlorobenzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[3-(2-benzofuranyl)prop-2-ynyl-[(2,4-dichlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-(1-benzofuran-2-yl)prop-2-ynyl-(2,4-dichlorobenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[3-(benzofuran-2-yl)prop-2-ynyl-(2,4-dichlorobenzoyl)amino]-3-phenyl-propionic acid Formula: C27H19Cl2NO4 MolecularWeight: 492.35006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC#CC2=CC3=CC=CC=C3O2)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC#CC2=CC3=CC=CC=C3O2)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H19Cl2NO4/c28-20-12-13-22(23(29)17-20)26(31)30(24(27(32)33)15-18-7-2-1-3-8-18)14-6-10-21-16-19-9-4-5-11-25(19)34-21/h1-5,7-9,11-13,16-17,24H,14-15H2,(H,32,33)