ethyl (2S)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)amino]but-3-ynoate

Systemtic Name: ethyl (2S)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)amino]but-3-ynoate Openeye Name: ethyl (2S)-4-(4-bromophenyl)-2-(4-methoxyanilino)but-3-ynoate CAS Name: (2S)-4-(4-bromophenyl)-2-(4-methoxyanilino)-3-butynoic acid ethyl ester IUPAC Name: ethyl (2S)-4-(4-bromophenyl)-2-(4-methoxyanilino)but-3-ynoate Traditional Name: (2S)-4-(4-bromophenyl)-2-(p-anisidino)but-3-ynoic acid ethyl ester Formula: C19H18BrNO3 MolecularWeight: 388.25512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#CC1=CC=C(C=C1)Br)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@H](C#CC1=CC=C(C=C1)Br)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H18BrNO3/c1-3-24-19(22)18(13-6-14-4-7-15(20)8-5-14)21-16-9-11-17(23-2)12-10-16/h4-5,7-12,18,21H,3H2,1-2H3/t18-/m0/s1