[3-(furan-2-ylmethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: [3-(furan-2-ylmethylcarbamoyl)-2-oxidanylidene-chromen-7-yl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: [3-(2-furylmethylcarbamoyl)-2-oxo-chromen-7-yl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid [3-[(2-furanylmethylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(furan-2-ylmethylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid [3-(2-furfurylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C29H24N2O7 MolecularWeight: 512.51006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CO4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C29H24N2O7/c1-2-3-12-35-22-9-6-19(7-10-22)14-21(17-30)28(33)37-23-11-8-20-15-25(29(34)38-26(20)16-23)27(32)31-18-24-5-4-13-36-24/h4-11,13-16H,2-3,12,18H2,1H3,(H,31,32)/b21-14+