cyanomethyl 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: cyanomethyl 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: cyanomethyl 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid cyanomethyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC#N)NC(=O)C1=CC(=CC(=C1)OC)OC

Isomeric SMILES

CC(C)C(C(=O)OCC#N)NC(=O)C1=CC(=CC(=C1)OC)OC

InChI

InChI=1S/C16H20N2O5/c1-10(2)14(16(20)23-6-5-17)18-15(19)11-7-12(21-3)9-13(8-11)22-4/h7-10,14H,6H2,1-4H3,(H,18,19)