[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate

Systemtic Name: [(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate Openeye Name: [(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4/c1-3-4-12-25-18-10-8-15(9-11-18)20(24)26-14(2)19(23)22-17-7-5-6-16(21)13-17/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,23)/t14-/m1/s1