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

Systemtic Name: butyl 4-[[3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[3-[5-(3-chlorophenyl)-2-furyl]-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[3-[5-(3-chlorophenyl)-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[3-[5-(3-chlorophenyl)-2-furyl]-2-cyano-acryloyl]amino]benzoic acid butyl ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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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)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2O4/c1-2-3-13-31-25(30)17-7-9-21(10-8-17)28-24(29)19(16-27)15-22-11-12-23(32-22)18-5-4-6-20(26)14-18/h4-12,14-15H,2-3,13H2,1H3,(H,28,29)