[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)Cl)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)Cl)OC)OC

InChI

InChI=1S/C21H24ClNO5/c1-4-5-6-14-7-9-16(10-8-14)23-19(24)13-28-21(25)15-11-17(22)20(27-3)18(12-15)26-2/h7-12H,4-6,13H2,1-3H3,(H,23,24)