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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O5/c1-4-6-8-9-16-34-25-14-13-21(18-26(25)33-3)17-23(20-29)27(31)30-24-12-10-11-22(19-24)28(32)35-15-7-5-2/h10-14,17-19H,4-9,15-16H2,1-3H3,(H,30,31)/b23-17+