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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[[2-[(phenylmethyl)carbamoyl]phenyl]amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-(benzylcarbamoyl)anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[2-[oxo-[(phenylmethyl)amino]methyl]anilino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[2-(benzylcarbamoyl)anilino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O4/c1-2-31-23(30)27-14-12-26(13-15-27)17-21(28)25-20-11-7-6-10-19(20)22(29)24-16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H,24,29)(H,25,28)/p+1