[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-prop-2-enoxy-benzoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5/c1-7-10-26-16-9-8-15(11-17(16)25-6)19(24)27-14(4)18(23)22-20(5,12-21)13(2)3/h7-9,11,13-14H,1,10H2,2-6H3,(H,22,23)