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

Systemtic Name: [3-(butylcarbamoyl)-2-oxidanylidene-chromen-7-yl] (E)-3-(4-butoxyphenyl)prop-2-enoate Openeye Name: [3-(butylcarbamoyl)-2-oxo-chromen-7-yl] (E)-3-(4-butoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-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)prop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)acrylic acid [3-(butylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C27H29NO6 MolecularWeight: 463.52226

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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)OC1=O

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO6/c1-3-5-15-28-26(30)23-17-20-10-13-22(18-24(20)34-27(23)31)33-25(29)14-9-19-7-11-21(12-8-19)32-16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,28,30)/b14-9+