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

Systemtic Name: [3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: [3-(butylcarbamoyl)-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-[butylamino(oxo)methyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid [3-(butylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)C(=CC3=CC=C(C=C3)OCCCC)C#N)OC1=O

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C(C=C2)OC(=O)/C(=C/C3=CC=C(C=C3)OCCCC)/C#N)OC1=O

InChI

InChI=1S/C28H28N2O6/c1-3-5-13-30-26(31)24-16-20-9-12-23(17-25(20)36-28(24)33)35-27(32)21(18-29)15-19-7-10-22(11-8-19)34-14-6-4-2/h7-12,15-17H,3-6,13-14H2,1-2H3,(H,30,31)/b21-15+