[(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid [(1R)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)O[C@H](C)C(=O)NCC2=CC=C(C=C2)C)OC

InChI

InChI=1S/C22H26ClNO5/c1-5-10-28-20-18(23)11-17(12-19(20)27-4)22(26)29-15(3)21(25)24-13-16-8-6-14(2)7-9-16/h6-9,11-12,15H,5,10,13H2,1-4H3,(H,24,25)/t15-/m1/s1