4-[(4-cyano-1-ethoxy-butan-2-yl)-(4-methanoyl-3-methyl-phenyl)amino]-5-ethoxy-pentanenitrile

Systemtic Name: 4-[(4-cyano-1-ethoxy-butan-2-yl)-(4-methanoyl-3-methyl-phenyl)amino]-5-ethoxy-pentanenitrile Openeye Name: 4-(N-[3-cyano-1-(ethoxymethyl)propyl]-4-formyl-3-methyl-anilino)-5-ethoxy-pentanenitrile CAS Name: 4-(N-(4-cyano-1-ethoxybutan-2-yl)-4-formyl-3-methylanilino)-5-ethoxypentanenitrile IUPAC Name: 4-(N-(4-cyano-1-ethoxybutan-2-yl)-4-formyl-3-methylanilino)-5-ethoxypentanenitrile Traditional Name: 4-(N-[3-cyano-1-(ethoxymethyl)propyl]-4-formyl-3-methyl-anilino)-5-ethoxy-valeronitrile Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(CCC#N)N(C1=CC(=C(C=C1)C=O)C)C(CCC#N)COCC

Isomeric SMILES

CCOCC(CCC#N)N(C1=CC(=C(C=C1)C=O)C)C(CCC#N)COCC

InChI

InChI=1S/C22H31N3O3/c1-4-27-16-21(8-6-12-23)25(22(9-7-13-24)17-28-5-2)20-11-10-19(15-26)18(3)14-20/h10-11,14-15,21-22H,4-9,16-17H2,1-3H3