4-[1-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-2-phenyl-ethyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 4-[1-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-2-phenyl-ethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 4-[1-(4-chloro-2-methyl-anilino)-2-oxo-2-phenyl-ethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 4-[1-(4-chloro-2-methylanilino)-2-oxo-2-phenylethyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 4-[1-(4-chloro-2-methylanilino)-2-oxo-2-phenylethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 4-[1-(4-chloro-2-methyl-anilino)-2-keto-2-phenyl-ethyl]-2-methyl-3-furoic acid Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(C2=COC(=C2C(=O)O)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(C2=COC(=C2C(=O)O)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClNO4/c1-12-10-15(22)8-9-17(12)23-19(20(24)14-6-4-3-5-7-14)16-11-27-13(2)18(16)21(25)26/h3-11,19,23H,1-2H3,(H,25,26)