ethyl (2S,3R,4R)-4-(4-bromophenyl)-3-methanoyl-2-[(4-methoxyphenyl)amino]pentanoate

Systemtic Name: ethyl (2S,3R,4R)-4-(4-bromophenyl)-3-methanoyl-2-[(4-methoxyphenyl)amino]pentanoate Openeye Name: ethyl (2S,3R,4R)-4-(4-bromophenyl)-3-formyl-2-(4-methoxyanilino)pentanoate CAS Name: (2S,3R,4R)-4-(4-bromophenyl)-3-formyl-2-(4-methoxyanilino)pentanoic acid ethyl ester IUPAC Name: ethyl (2S,3R,4R)-4-(4-bromophenyl)-3-formyl-2-(4-methoxyanilino)pentanoate Traditional Name: (2S,3R,4R)-4-(4-bromophenyl)-3-formyl-2-(p-anisidino)valeric acid ethyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C=O)C(C)C1=CC=C(C=C1)Br)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C=O)[C@@H](C)C1=CC=C(C=C1)Br)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H24BrNO4/c1-4-27-21(25)20(23-17-9-11-18(26-3)12-10-17)19(13-24)14(2)15-5-7-16(22)8-6-15/h5-14,19-20,23H,4H2,1-3H3/t14-,19+,20-/m0/s1