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

Systemtic Name: [(2R)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [(1R)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [(2R)-1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylanilino)-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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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=C2C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C)OCC

InChI

InChI=1S/C23H29NO5/c1-5-7-14-28-20-13-12-18(15-21(20)27-6-2)23(26)29-17(4)22(25)24-19-11-9-8-10-16(19)3/h8-13,15,17H,5-7,14H2,1-4H3,(H,24,25)/t17-/m1/s1