(2S,3R)-2-(4-chloranylphenoxy)-3-[(4-methoxyphenyl)amino]-4-oxidanyl-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: (2S,3R)-2-(4-chloranylphenoxy)-3-[(4-methoxyphenyl)amino]-4-oxidanyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: (2S,3R)-2-(4-chlorophenoxy)-4-hydroxy-3-(4-methoxyanilino)-1-pyrrolidin-1-yl-butan-1-one CAS Name: (2S,3R)-2-(4-chlorophenoxy)-4-hydroxy-3-(4-methoxyanilino)-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: (2S,3R)-2-(4-chlorophenoxy)-4-hydroxy-3-(4-methoxyanilino)-1-pyrrolidin-1-ylbutan-1-one Traditional Name: (2S,3R)-2-(4-chlorophenoxy)-4-hydroxy-3-(p-anisidino)-1-pyrrolidino-butan-1-one Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(CO)C(C(=O)N2CCCC2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N[C@H](CO)[C@@H](C(=O)N2CCCC2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4/c1-27-17-10-6-16(7-11-17)23-19(14-25)20(21(26)24-12-2-3-13-24)28-18-8-4-15(22)5-9-18/h4-11,19-20,23,25H,2-3,12-14H2,1H3/t19-,20+/m1/s1