[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C22H28N2O7/c1-14(2)20(24-21(26)17-6-5-11-30-17)22(27)31-13-19(25)23-10-9-15-7-8-16(28-3)18(12-15)29-4/h5-8,11-12,14,20H,9-10,13H2,1-4H3,(H,23,25)(H,24,26)