ethyl 4-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-(4-phenoxyanilino)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(4-phenoxyanilino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(4-phenoxyanilino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-2-27-21(26)24-14-12-23(13-15-24)16-20(25)22-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H,22,25)/p+1