2-[(4-cyanophenyl)amino]-2-[3-methyl-5-(2-oxidanylcyclopentyl)oxy-phenyl]ethanoate

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-methyl-5-(2-oxidanylcyclopentyl)oxy-phenyl]ethanoate Openeye Name: 2-(4-cyanoanilino)-2-[3-(2-hydroxycyclopentoxy)-5-methyl-phenyl]acetate CAS Name: 2-(4-cyanoanilino)-2-[3-(2-hydroxycyclopentyl)oxy-5-methylphenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-[3-(2-hydroxycyclopentyl)oxy-5-methylphenyl]acetate Traditional Name: 2-(4-cyanoanilino)-2-[3-(2-hydroxycyclopentoxy)-5-methyl-phenyl]acetate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2CCCC2O)C(C(=O)[O-])NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)OC2CCCC2O)C(C(=O)[O-])NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N2O4/c1-13-9-15(11-17(10-13)27-19-4-2-3-18(19)24)20(21(25)26)23-16-7-5-14(12-22)6-8-16/h5-11,18-20,23-24H,2-4H2,1H3,(H,25,26)/p-1