3-[(Z)-2-butoxy-2-phenyl-ethenyl]-8-(2-propan-2-ylphenyl)-2-(2H-1,2,3,4-tetrazol-5-yl)chromen-4-one

Systemtic Name: 3-[(Z)-2-butoxy-2-phenyl-ethenyl]-8-(2-propan-2-ylphenyl)-2-(2H-1,2,3,4-tetrazol-5-yl)chromen-4-one Openeye Name: 3-[(Z)-2-butoxy-2-phenyl-vinyl]-8-(2-isopropylphenyl)-2-(2H-tetrazol-5-yl)chromen-4-one CAS Name: 3-[(Z)-2-butoxy-2-phenylethenyl]-8-(2-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)-1-benzopyran-4-one IUPAC Name: 3-[(Z)-2-butoxy-2-phenylethenyl]-8-(2-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)chromen-4-one Traditional Name: 3-[(Z)-2-butoxy-2-phenyl-vinyl]-8-o-cumenyl-2-(2H-tetrazol-5-yl)chromone Formula: C31H30N4O3 MolecularWeight: 506.5949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=CC1=C(OC2=C(C1=O)C=CC=C2C3=CC=CC=C3C(C)C)C4=NNN=N4)C5=CC=CC=C5

Isomeric SMILES

CCCCO/C(=C\C1=C(OC2=C(C1=O)C=CC=C2C3=CC=CC=C3C(C)C)C4=NNN=N4)/C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O3/c1-4-5-18-37-27(21-12-7-6-8-13-21)19-26-28(36)25-17-11-16-24(23-15-10-9-14-22(23)20(2)3)29(25)38-30(26)31-32-34-35-33-31/h6-17,19-20H,4-5,18H2,1-3H3,(H,32,33,34,35)/b27-19-