[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C=C(C=C1)Cl)O

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C=C(C=C1)Cl)O

InChI

InChI=1S/C14H18ClNO4/c1-9(2)5-6-16-13(18)8-20-14(19)11-4-3-10(15)7-12(11)17/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,18)