[2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxidanylidene-chromen-2-yl)phenyl] 4-azanylbutanoate

Systemtic Name: [2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxidanylidene-chromen-2-yl)phenyl] 4-azanylbutanoate Openeye Name: [2-acetoxy-5-(3,5,7-triacetoxy-4-oxo-chromen-2-yl)phenyl] 4-aminobutanoate CAS Name: 4-aminobutanoic acid [2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxo-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxochromen-2-yl)phenyl] 4-aminobutanoate Traditional Name: 4-aminobutyric acid [2-acetoxy-5-(3,5,7-triacetoxy-4-keto-chromen-2-yl)phenyl] ester Formula: C27H25NO12 MolecularWeight: 555.4869

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)CCCN

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)CCCN

InChI

InChI=1S/C27H25NO12/c1-13(29)35-18-11-21(37-15(3)31)24-22(12-18)40-26(27(25(24)34)38-16(4)32)17-7-8-19(36-14(2)30)20(10-17)39-23(33)6-5-9-28/h7-8,10-12H,5-6,9,28H2,1-4H3