[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(phenoxymethyl)benzoate

Systemtic Name: [2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(phenoxymethyl)benzoate Openeye Name: [2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl] 2-(phenoxymethyl)benzoate CAS Name: 2-(phenoxymethyl)benzoic acid [2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl] 2-(phenoxymethyl)benzoate Traditional Name: 2-(phenoxymethyl)benzoic acid [2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl] ester Formula: C28H32N3O4+ MolecularWeight: 474.57138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3COC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3COC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-2-30-16-18-31(19-17-30)24-14-12-23(13-15-24)29-27(32)21-35-28(33)26-11-7-6-8-22(26)20-34-25-9-4-3-5-10-25/h3-15H,2,16-21H2,1H3,(H,29,32)/p+1