ethyl 2-[(3-cyanophenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]ethanoate

Systemtic Name: ethyl 2-[(3-cyanophenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]ethanoate Openeye Name: ethyl 2-[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]acetate CAS Name: 2-[3-cyano-N-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]anilino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]acetate Traditional Name: 2-[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]acetic acid ethyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC#CC1=CC(=C(C=C1)C(=O)N2CCCC2)C)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)CN(CC#CC1=CC(=C(C=C1)C(=O)N2CCCC2)C)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H27N3O3/c1-3-32-25(30)19-29(23-10-6-8-22(17-23)18-27)15-7-9-21-11-12-24(20(2)16-21)26(31)28-13-4-5-14-28/h6,8,10-12,16-17H,3-5,13-15,19H2,1-2H3