2-ethylhexyl (Z)-2-cyano-3-[4-(2-ethylhexanoylamino)phenyl]prop-2-enoate

Systemtic Name: 2-ethylhexyl (Z)-2-cyano-3-[4-(2-ethylhexanoylamino)phenyl]prop-2-enoate Openeye Name: 2-ethylhexyl (Z)-2-cyano-3-[4-(2-ethylhexanoylamino)phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[4-[(2-ethyl-1-oxohexyl)amino]phenyl]-2-propenoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (Z)-2-cyano-3-[4-(2-ethylhexanoylamino)phenyl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[4-(2-ethylhexanoylamino)phenyl]acrylic acid 2-ethylhexyl ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(=CC1=CC=C(C=C1)NC(=O)C(CC)CCCC)C#N

Isomeric SMILES

CCCCC(CC)COC(=O)/C(=C\C1=CC=C(C=C1)NC(=O)C(CC)CCCC)/C#N

InChI

InChI=1S/C26H38N2O3/c1-5-9-11-20(7-3)19-31-26(30)23(18-27)17-21-13-15-24(16-14-21)28-25(29)22(8-4)12-10-6-2/h13-17,20,22H,5-12,19H2,1-4H3,(H,28,29)/b23-17-