[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C(=O)C)OCC

InChI

InChI=1S/C24H29NO6/c1-5-7-13-30-21-12-11-19(15-22(21)29-6-2)24(28)31-17(4)23(27)25-20-10-8-9-18(14-20)16(3)26/h8-12,14-15,17H,5-7,13H2,1-4H3,(H,25,27)/t17-/m1/s1