2-ethylhexyl (Z)-2-cyano-3-[4-[(E)-2-cyano-3-(2-ethylhexoxy)-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoate

Systemtic Name: 2-ethylhexyl (Z)-2-cyano-3-[4-[(E)-2-cyano-3-(2-ethylhexoxy)-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoate Openeye Name: 2-ethylhexyl (Z)-2-cyano-3-[4-[(E)-2-cyano-3-(2-ethylhexoxy)-3-oxo-prop-1-enyl]phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[4-[(E)-2-cyano-3-(2-ethylhexoxy)-3-oxoprop-1-enyl]phenyl]-2-propenoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (Z)-2-cyano-3-[4-[(E)-2-cyano-3-(2-ethylhexoxy)-3-oxoprop-1-enyl]phenyl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[4-[(E)-2-cyano-3-(2-ethylhexoxy)-3-keto-prop-1-enyl]phenyl]acrylic acid 2-ethylhexyl ester Formula: C30H40N2O4 MolecularWeight: 492.6496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O4/c1-5-9-11-23(7-3)21-35-29(33)27(19-31)17-25-13-15-26(16-14-25)18-28(20-32)30(34)36-22-24(8-4)12-10-6-2/h13-18,23-24H,5-12,21-22H2,1-4H3/b27-17-,28-18+