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

Systemtic Name: butyl 3-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: butyl 3-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid butyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC)OC)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OCC)OC)/C#N

InChI

InChI=1S/C24H26N2O5/c1-4-6-12-31-24(28)18-8-7-9-20(15-18)26-23(27)19(16-25)13-17-10-11-21(30-5-2)22(14-17)29-3/h7-11,13-15H,4-6,12H2,1-3H3,(H,26,27)/b19-13+