[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-(1-methylhexylamino)-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-(heptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(heptan-2-ylamino)-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-(1-methylhexylamino)ethyl] ester Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)N

Isomeric SMILES

CCCCCC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C16H23ClN2O3/c1-3-4-5-6-11(2)19-15(20)10-22-16(21)12-7-8-13(17)14(18)9-12/h7-9,11H,3-6,10,18H2,1-2H3,(H,19,20)