[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-4-5-14-25-19-12-8-17(9-13-19)21(24)26-16(3)20(23)22-18-10-6-15(2)7-11-18/h6-13,16H,4-5,14H2,1-3H3,(H,22,23)/t16-/m1/s1