[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propoxy-benzoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propoxy-benzoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-4-10-27-18-9-8-16(12-19(18)26-3)21(25)28-14(2)20(24)23-17-7-5-6-15(11-17)13-22/h5-9,11-12,14H,4,10H2,1-3H3,(H,23,24)/t14-/m1/s1