[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C20H22ClNO4/c1-3-4-12-25-16-10-8-15(9-11-16)20(24)26-13-19(23)22-18-7-5-6-17(21)14(18)2/h5-11H,3-4,12-13H2,1-2H3,(H,22,23)