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

Systemtic Name: ethyl 5-(2-bromophenyl)-3-[(4-methoxyphenyl)amino]-2,2-dimethyl-pent-4-ynoate Openeye Name: ethyl 5-(2-bromophenyl)-3-(4-methoxyanilino)-2,2-dimethyl-pent-4-ynoate CAS Name: 5-(2-bromophenyl)-3-(4-methoxyanilino)-2,2-dimethyl-4-pentynoic acid ethyl ester IUPAC Name: ethyl 5-(2-bromophenyl)-3-(4-methoxyanilino)-2,2-dimethylpent-4-ynoate Traditional Name: 5-(2-bromophenyl)-2,2-dimethyl-3-(p-anisidino)pent-4-ynoic acid ethyl ester Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(C#CC1=CC=CC=C1Br)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C)(C)C(C#CC1=CC=CC=C1Br)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H24BrNO3/c1-5-27-21(25)22(2,3)20(15-10-16-8-6-7-9-19(16)23)24-17-11-13-18(26-4)14-12-17/h6-9,11-14,20,24H,5H2,1-4H3