[2-[[(2R)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[[(2R)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[[(2R)-2-ethylhexyl]amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[[(2R)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C17H25ClN2O3 MolecularWeight: 340.845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)N

Isomeric SMILES

CCCC[C@@H](CC)CNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C17H25ClN2O3/c1-3-5-6-12(4-2)10-20-16(21)11-23-17(22)13-7-8-14(18)15(19)9-13/h7-9,12H,3-6,10-11,19H2,1-2H3,(H,20,21)/t12-/m1/s1