N-[4-oxidanylidene-2-(2H-1,2,3,4-tetrazol-5-yl)chromen-8-yl]-4-(3-phenyloctoxy)benzamide

Systemtic Name: N-[4-oxidanylidene-2-(2H-1,2,3,4-tetrazol-5-yl)chromen-8-yl]-4-(3-phenyloctoxy)benzamide Openeye Name: N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(3-phenyloctoxy)benzamide CAS Name: N-[4-oxo-2-(2H-tetrazol-5-yl)-1-benzopyran-8-yl]-4-(3-phenyloctoxy)benzamide IUPAC Name: N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(3-phenyloctoxy)benzamide Traditional Name: N-[4-keto-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(3-phenyloctoxy)benzamide Formula: C31H31N5O4 MolecularWeight: 537.60894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C4=NNN=N4)C5=CC=CC=C5

Isomeric SMILES

CCCCCC(CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2OC(=CC3=O)C4=NNN=N4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N5O4/c1-2-3-5-9-22(21-10-6-4-7-11-21)18-19-39-24-16-14-23(15-17-24)31(38)32-26-13-8-12-25-27(37)20-28(40-29(25)26)30-33-35-36-34-30/h4,6-8,10-17,20,22H,2-3,5,9,18-19H2,1H3,(H,32,38)(H,33,34,35,36)