[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-oxo-ethyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)COC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)COC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H24N2O5/c1-22(2,15-23)24(3)20(25)14-29-21(26)17-10-11-18(19(12-17)27-4)28-13-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3