ethyl 5-(4-cyanophenyl)-3-[(4-methoxyphenyl)amino]-2,2-dimethyl-pent-4-ynoate

Systemtic Name: ethyl 5-(4-cyanophenyl)-3-[(4-methoxyphenyl)amino]-2,2-dimethyl-pent-4-ynoate Openeye Name: ethyl 5-(4-cyanophenyl)-3-(4-methoxyanilino)-2,2-dimethyl-pent-4-ynoate CAS Name: 5-(4-cyanophenyl)-3-(4-methoxyanilino)-2,2-dimethyl-4-pentynoic acid ethyl ester IUPAC Name: ethyl 5-(4-cyanophenyl)-3-(4-methoxyanilino)-2,2-dimethylpent-4-ynoate Traditional Name: 5-(4-cyanophenyl)-2,2-dimethyl-3-(p-anisidino)pent-4-ynoic acid ethyl ester Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3/c1-5-28-22(26)23(2,3)21(25-19-11-13-20(27-4)14-12-19)15-10-17-6-8-18(16-24)9-7-17/h6-9,11-14,21,25H,5H2,1-4H3