[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(4-methoxycarbonylanilino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-(4-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-(4-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C22H25N2O6+ MolecularWeight: 413.4437

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H24N2O6/c1-28-21(26)17-6-8-19(9-7-17)23-20(25)15-30-22(27)18-4-2-16(3-5-18)14-24-10-12-29-13-11-24/h2-9H,10-15H2,1H3,(H,23,25)/p+1