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

Systemtic Name: [3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] (E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoate Openeye Name: [3-(butylcarbamoyl)-2-oxo-chromen-7-yl] (E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propoxyphenyl)-2-propenoic acid [3-[butylamino(oxo)methyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(butylcarbamoyl)-2-oxochromen-7-yl] (E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-propoxyphenyl)acrylic acid [3-(butylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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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)OCCC)C#N)OC1=O

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O6/c1-3-5-12-29-25(30)23-15-19-8-11-22(16-24(19)35-27(23)32)34-26(31)20(17-28)14-18-6-9-21(10-7-18)33-13-4-2/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,29,30)/b20-14+