[2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-butylbenzoate

Systemtic Name: [2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-butylbenzoate Openeye Name: [2-[(3,5-dichloro-2-pyridyl)amino]-2-oxo-ethyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C18H18Cl2N2O3 MolecularWeight: 381.25312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O3/c1-2-3-4-12-5-7-13(8-6-12)18(24)25-11-16(23)22-17-15(20)9-14(19)10-21-17/h5-10H,2-4,11H2,1H3,(H,21,22,23)