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

Systemtic Name: ethyl 4-[[(3-cyanophenyl)-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]amino]methyl]benzoate Openeye Name: ethyl 4-[[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoate CAS Name: 4-[[3-cyano-N-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoate Traditional Name: 4-[[3-cyano-N-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]anilino]methyl]benzoic acid ethyl ester Formula: C32H31N3O3 MolecularWeight: 505.60684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CC#CC2=CC(=C(C=C2)C(=O)N3CCCC3)C)C4=CC=CC(=C4)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC#CC2=CC(=C(C=C2)C(=O)N3CCCC3)C)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C32H31N3O3/c1-3-38-32(37)28-14-11-26(12-15-28)23-35(29-10-6-8-27(21-29)22-33)19-7-9-25-13-16-30(24(2)20-25)31(36)34-17-4-5-18-34/h6,8,10-16,20-21H,3-5,17-19,23H2,1-2H3