[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H18N2O3/c1-11(2)7-8-17-14(18)10-20-15(19)13-5-3-12(9-16)4-6-13/h3-6,11H,7-8,10H2,1-2H3,(H,17,18)