ethyl 2-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)-3-phenyl-propanoate

Systemtic Name: ethyl 2-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)-3-phenyl-propanoate Openeye Name: ethyl 2-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)-3-phenyl-propanoate CAS Name: 2-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)-3-phenylpropanoate Traditional Name: 2-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)-3-phenyl-propionic acid ethyl ester Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)[N+]2=CC3=C(C(=CC=C3)C)OC2

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)[N+]2=CC3=C(C(=CC=C3)C)OC2

InChI

InChI=1S/C20H22NO3/c1-3-23-20(22)18(12-16-9-5-4-6-10-16)21-13-17-11-7-8-15(2)19(17)24-14-21/h4-11,13,18H,3,12,14H2,1-2H3/q+1