ethyl 4-[2-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[2-(p-phenetylcarbamoyl)anilino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C24H31N4O5+ MolecularWeight: 455.52674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C24H30N4O5/c1-3-32-19-11-9-18(10-12-19)25-23(30)20-7-5-6-8-21(20)26-22(29)17-27-13-15-28(16-14-27)24(31)33-4-2/h5-12H,3-4,13-17H2,1-2H3,(H,25,30)(H,26,29)/p+1