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

Systemtic Name: ethyl 3-[(3-cyanophenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]propanoate Openeye Name: ethyl 3-[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]propanoate CAS Name: 3-[3-cyano-N-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]anilino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]propanoate Traditional Name: 3-[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]propionic acid ethyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3/c1-3-33-26(31)13-17-29(24-10-6-8-23(19-24)20-28)16-7-9-22-11-12-25(21(2)18-22)27(32)30-14-4-5-15-30/h6,8,10-12,18-19H,3-5,13-17H2,1-2H3