7-[3-(4-ethanoyl-3-oxidanyl-2-propoxy-phenoxy)propoxy]-2-oxidanyl-4-oxidanylidene-8-propyl-chromene-3-carbonitrile

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-2-propoxy-phenoxy)propoxy]-2-oxidanyl-4-oxidanylidene-8-propyl-chromene-3-carbonitrile Openeye Name: 7-[3-(4-acetyl-3-hydroxy-2-propoxy-phenoxy)propoxy]-2-hydroxy-4-oxo-8-propyl-chromene-3-carbonitrile CAS Name: 7-[3-(4-acetyl-3-hydroxy-2-propoxyphenoxy)propoxy]-2-hydroxy-4-oxo-8-propyl-1-benzopyran-3-carbonitrile IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-2-propoxyphenoxy)propoxy]-2-hydroxy-4-oxo-8-propylchromene-3-carbonitrile Traditional Name: 7-[3-(4-acetyl-3-hydroxy-2-propoxy-phenoxy)propoxy]-2-hydroxy-4-keto-8-propyl-chromene-3-carbonitrile Formula: C27H29NO8 MolecularWeight: 495.52106

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=C(C2=O)C#N)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)O)OCCC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=C(C2=O)C#N)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)O)OCCC

InChI

InChI=1S/C27H29NO8/c1-4-7-18-21(10-9-19-23(30)20(15-28)27(32)36-25(18)19)33-13-6-14-34-22-11-8-17(16(3)29)24(31)26(22)35-12-5-2/h8-11,31-32H,4-7,12-14H2,1-3H3