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

Systemtic Name: 2-methoxyethyl 4-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C27H32N2O6 MolecularWeight: 480.55278

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=C(C=C2)C(=O)OCCOC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O6/c1-4-5-6-7-14-34-24-13-8-20(18-25(24)33-3)17-22(19-28)26(30)29-23-11-9-21(10-12-23)27(31)35-16-15-32-2/h8-13,17-18H,4-7,14-16H2,1-3H3,(H,29,30)/b22-17+