[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate

Systemtic Name: [2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [2-[4-(4-morpholin-4-iumylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl] ester Formula: C26H27N2O5+ MolecularWeight: 447.50298

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5/c29-25(27-22-10-6-20(7-11-22)18-28-14-16-31-17-15-28)19-32-26(30)21-8-12-24(13-9-21)33-23-4-2-1-3-5-23/h1-13H,14-19H2,(H,27,29)/p+1