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

Systemtic Name: ethyl (2S)-2-[(4-methoxyphenyl)amino]-4-(4-methylphenyl)but-3-ynoate Openeye Name: ethyl (2S)-2-(4-methoxyanilino)-4-(p-tolyl)but-3-ynoate CAS Name: (2S)-2-(4-methoxyanilino)-4-(4-methylphenyl)-3-butynoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-methoxyanilino)-4-(4-methylphenyl)but-3-ynoate Traditional Name: (2S)-2-(p-anisidino)-4-(p-tolyl)but-3-ynoic acid ethyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3/c1-4-24-20(22)19(14-9-16-7-5-15(2)6-8-16)21-17-10-12-18(23-3)13-11-17/h5-8,10-13,19,21H,4H2,1-3H3/t19-/m0/s1