methyl 2-(2-cyanopropyl)-4-[(4-hydroxyphenyl)carbamoyl]-2,4-dimethyl-hexanoate

Systemtic Name: methyl 2-(2-cyanopropyl)-4-[(4-hydroxyphenyl)carbamoyl]-2,4-dimethyl-hexanoate Openeye Name: methyl 2-(2-cyanopropyl)-4-[(4-hydroxyphenyl)carbamoyl]-2,4-dimethyl-hexanoate CAS Name: 2-(2-cyanopropyl)-4-[(4-hydroxyanilino)-oxomethyl]-2,4-dimethylhexanoic acid methyl ester IUPAC Name: methyl 2-(2-cyanopropyl)-4-[(4-hydroxyphenyl)carbamoyl]-2,4-dimethylhexanoate Traditional Name: 2-(2-cyanopropyl)-4-[(4-hydroxyphenyl)carbamoyl]-2,4-dimethyl-hexanoic acid methyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)C#N)C(=O)OC)C(=O)NC1=CC=C(C=C1)O

Isomeric SMILES

CCC(C)(CC(C)(CC(C)C#N)C(=O)OC)C(=O)NC1=CC=C(C=C1)O

InChI

InChI=1S/C20H28N2O4/c1-6-19(3,17(24)22-15-7-9-16(23)10-8-15)13-20(4,18(25)26-5)11-14(2)12-21/h7-10,14,23H,6,11,13H2,1-5H3,(H,22,24)