[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-propoxybenzoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-propoxybenzoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H20N2O4/c1-3-11-25-18-9-7-16(8-10-18)20(24)26-14(2)19(23)22-17-6-4-5-15(12-17)13-21/h4-10,12,14H,3,11H2,1-2H3,(H,22,23)/t14-/m1/s1