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

Systemtic Name: 6-ethyl-9-[(4-methoxyphenyl)methyl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 6-ethyl-9-[(4-methoxyphenyl)methyl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 6-ethyl-9-[(4-methoxyphenyl)methyl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 6-ethyl-9-[(4-methoxyphenyl)methyl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 6-ethyl-9-p-anisyl-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C27H26NO4+ MolecularWeight: 428.49964

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO4/c1-3-19-13-23-22(20-7-5-4-6-8-20)14-25(29)32-27(23)24-16-28(17-31-26(19)24)15-18-9-11-21(30-2)12-10-18/h4-14H,3,15-17H2,1-2H3/p+1