2-[1-benzofuran-2-ylmethyl-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[1-benzofuran-2-ylmethyl-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[benzofuran-2-ylmethyl-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[2-benzofuranylmethyl-[(2,4-dichlorophenyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[1-benzofuran-2-ylmethyl-[(2,4-dichlorophenyl)methyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[benzofuran-2-ylmethyl-(2,4-dichlorobenzyl)amino]-3-phenyl-propionic acid Formula: C25H21Cl2NO3 MolecularWeight: 454.34514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=C(C=C(C=C2)Cl)Cl)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=C(C=C(C=C2)Cl)Cl)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H21Cl2NO3/c26-20-11-10-19(22(27)14-20)15-28(16-21-13-18-8-4-5-9-24(18)31-21)23(25(29)30)12-17-6-2-1-3-7-17/h1-11,13-14,23H,12,15-16H2,(H,29,30)