[2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-oxidanylidene-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3,4,5-triethoxybenzoate Openeye Name: [2-oxo-3-(tetrahydrofuran-2-ylmethylcarbamoyl)chromen-7-yl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-oxo-3-[oxo-(2-oxolanylmethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-keto-3-(tetrahydrofurfurylcarbamoyl)chromen-7-yl] ester Formula: C28H31NO9 MolecularWeight: 525.54704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4CCCO4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4CCCO4

InChI

InChI=1S/C28H31NO9/c1-4-33-23-13-18(14-24(34-5-2)25(23)35-6-3)27(31)37-19-10-9-17-12-21(28(32)38-22(17)15-19)26(30)29-16-20-8-7-11-36-20/h9-10,12-15,20H,4-8,11,16H2,1-3H3,(H,29,30)