2-[(2,4-dichlorophenyl)carbonyl-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)-[(1-oxidopyridin-1-ium-3-yl)methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-[(1-oxido-3-pyridin-1-iumyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-[(1-oxidopyridin-1-ium-3-yl)methyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)-[(1-oxidopyridin-1-ium-3-yl)methyl]amino]-3-phenyl-propionic acid Formula: C22H18Cl2N2O4 MolecularWeight: 445.29532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=C[N+](=CC=C2)[O-])C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=C[N+](=CC=C2)[O-])C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2O4/c23-17-8-9-18(19(24)12-17)21(27)26(14-16-7-4-10-25(30)13-16)20(22(28)29)11-15-5-2-1-3-6-15/h1-10,12-13,20H,11,14H2,(H,28,29)