2-[(4-cyanophenyl)amino]-2-(3-ethyl-5-pyrrolidin-1-yl-phenyl)ethanoate

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3-ethyl-5-pyrrolidin-1-yl-phenyl)ethanoate Openeye Name: 2-(4-cyanoanilino)-2-(3-ethyl-5-pyrrolidin-1-yl-phenyl)acetate CAS Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(1-pyrrolidinyl)phenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-(3-ethyl-5-pyrrolidin-1-ylphenyl)acetate Traditional Name: 2-(4-cyanoanilino)-2-(3-ethyl-5-pyrrolidino-phenyl)acetate Formula: C21H22N3O2- MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)N2CCCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)N2CCCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O2/c1-2-15-11-17(13-19(12-15)24-9-3-4-10-24)20(21(25)26)23-18-7-5-16(14-22)6-8-18/h5-8,11-13,20,23H,2-4,9-10H2,1H3,(H,25,26)/p-1