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

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-isoamoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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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)OCCC(C)C)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-5-31-25(29)19-7-9-21(10-8-19)27-24(28)20(16-26)14-18-6-11-22(23(15-18)30-4)32-13-12-17(2)3/h6-11,14-15,17H,5,12-13H2,1-4H3,(H,27,28)/b20-14+