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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5/c1-5-30-24(28)18-7-9-20(10-8-18)26-23(27)19(14-25)12-17-6-11-21(29-4)22(13-17)31-15-16(2)3/h6-13,16H,5,15H2,1-4H3,(H,26,27)/b19-12+