[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[(4-benzyloxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[(4-benzoxybenzyl)-ethyl-amino]-2-keto-ethyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C24H24N2O5/c1-2-25(23(27)18-31-24(28)22-10-6-7-15-26(22)29)16-19-11-13-21(14-12-19)30-17-20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3