butyl 4-[[(E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: butyl 4-[[(E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[(E)-2-cyano-3-(5-phenyl-2-furyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(5-phenyl-2-furyl)acryloyl]amino]benzoic acid butyl ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H22N2O4/c1-2-3-15-30-25(29)19-9-11-21(12-10-19)27-24(28)20(17-26)16-22-13-14-23(31-22)18-7-5-4-6-8-18/h4-14,16H,2-3,15H2,1H3,(H,27,28)/b20-16+