8-[[cyclohexyl(ethyl)azaniumyl]methyl]-3-(2-methoxyphenyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[[cyclohexyl(ethyl)azaniumyl]methyl]-3-(2-methoxyphenyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[[cyclohexyl(ethyl)ammonio]methyl]-3-(2-methoxyphenyl)-4-oxo-chromen-7-olate CAS Name: 8-[[cyclohexyl(ethyl)ammonio]methyl]-3-(2-methoxyphenyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[cyclohexyl(ethyl)azaniumyl]methyl]-3-(2-methoxyphenyl)-4-oxochromen-7-olate Traditional Name: 8-[[cyclohexyl(ethyl)ammonio]methyl]-4-keto-3-(2-methoxyphenyl)chromen-7-olate Formula: C25H29NO4 MolecularWeight: 407.50206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3OC)[O-])C4CCCCC4

Isomeric SMILES

CC[NH+](CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3OC)[O-])C4CCCCC4

InChI

InChI=1S/C25H29NO4/c1-3-26(17-9-5-4-6-10-17)15-20-22(27)14-13-19-24(28)21(16-30-25(19)20)18-11-7-8-12-23(18)29-2/h7-8,11-14,16-17,27H,3-6,9-10,15H2,1-2H3