6-ethyl-9-[(4-methylphenyl)methyl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 6-ethyl-9-[(4-methylphenyl)methyl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 6-ethyl-4-phenyl-9-(p-tolylmethyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 6-ethyl-9-[(4-methylphenyl)methyl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 6-ethyl-9-[(4-methylphenyl)methyl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 6-ethyl-9-(4-methylbenzyl)-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C27H26NO3+ MolecularWeight: 412.50024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C3C(=C1)C(=CC(=O)O3)C4=CC=CC=C4)C[NH+](CO2)CC5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C2C(=C3C(=C1)C(=CC(=O)O3)C4=CC=CC=C4)C[NH+](CO2)CC5=CC=C(C=C5)C

InChI

InChI=1S/C27H25NO3/c1-3-20-13-23-22(21-7-5-4-6-8-21)14-25(29)31-27(23)24-16-28(17-30-26(20)24)15-19-11-9-18(2)10-12-19/h4-14H,3,15-17H2,1-2H3/p+1