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

Systemtic Name: methyl 3-[[(3-cyanophenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]methyl]benzoate Openeye Name: methyl 3-[[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoate CAS Name: 3-[[3-cyano-N-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoate Traditional Name: 3-[[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoic acid methyl ester Formula: C31H29N3O3 MolecularWeight: 491.58026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(CC2=CC=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N)C(=O)N4CCCC4

InChI

InChI=1S/C31H29N3O3/c1-23-18-24(13-14-29(23)30(35)33-15-3-4-16-33)10-7-17-34(28-12-6-8-25(20-28)21-32)22-26-9-5-11-27(19-26)31(36)37-2/h5-6,8-9,11-14,18-20H,3-4,15-17,22H2,1-2H3