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

Systemtic Name: 4-methyl-9-phenethyl-3-(phenylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 3-benzyl-4-methyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 4-methyl-9-phenethyl-3-(phenylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 3-benzyl-4-methyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 3-benzyl-4-methyl-9-phenethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C27H26NO3+ MolecularWeight: 412.50024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25NO3/c1-19-22-12-13-25-24(17-28(18-30-25)15-14-20-8-4-2-5-9-20)26(22)31-27(29)23(19)16-21-10-6-3-7-11-21/h2-13H,14-18H2,1H3/p+1