2-[(4-cyanophenyl)amino]-2-[3-methyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]ethanoate

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-methyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]ethanoate Openeye Name: 2-(4-cyanoanilino)-2-[3-methyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]acetate CAS Name: 2-(4-cyanoanilino)-2-[3-methyl-5-[2-(1-pyrrolidinyl)ethoxy]phenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-[3-methyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]acetate Traditional Name: 2-(4-cyanoanilino)-2-[3-methyl-5-(2-pyrrolidinoethoxy)phenyl]acetate Formula: C22H24N3O3- MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2CCCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2CCCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O3/c1-16-12-18(14-20(13-16)28-11-10-25-8-2-3-9-25)21(22(26)27)24-19-6-4-17(15-23)5-7-19/h4-7,12-14,21,24H,2-3,8-11H2,1H3,(H,26,27)/p-1