2-methylpropyl 4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: isobutyl 4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid isobutyl ester Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OCC(C)C)OC

InChI

InChI=1S/C28H34N2O5/c1-5-6-7-8-15-34-25-14-9-21(17-26(25)33-4)16-23(18-29)27(31)30-24-12-10-22(11-13-24)28(32)35-19-20(2)3/h9-14,16-17,20H,5-8,15,19H2,1-4H3,(H,30,31)/b23-16+