[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C21H24ClNO4/c1-4-5-10-26-17-8-6-16(7-9-17)21(25)27-13-19(24)23-20-15(3)11-14(2)12-18(20)22/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,24)