4-butyl-9-(2,2-diphenylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 4-butyl-9-(2,2-diphenylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 4-butyl-9-(2,2-diphenylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 4-butyl-9-(2,2-diphenylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 4-butyl-9-(2,2-diphenylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 4-butyl-9-(2,2-diphenylethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C29H30NO3+ MolecularWeight: 440.5534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)CC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29NO3/c1-2-3-10-23-17-28(31)33-29-24(23)15-16-27-26(29)19-30(20-32-27)18-25(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-17,25H,2-3,10,18-20H2,1H3/p+1