[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)Br

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)Br

InChI

InChI=1S/C16H21BrN2O5/c1-10(2)6-7-18-16(22)19-14(20)9-24-15(21)11-4-5-13(23-3)12(17)8-11/h4-5,8,10H,6-7,9H2,1-3H3,(H2,18,19,20,22)