O4-ethyl O2-(phenylmethyl) 3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(phenylmethyl) 3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-benzyl O4-ethyl 3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-(4-morpholin-4-iumylmethyl)-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-ethyl 3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-(morpholin-4-ium-4-ylmethyl)-1H-pyrrole-2,4-dicarboxylic acid O2-benzyl ester O4-ethyl ester Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H26N2O5/c1-3-27-20(24)18-15(2)19(21(25)28-14-16-7-5-4-6-8-16)22-17(18)13-23-9-11-26-12-10-23/h4-8,22H,3,9-14H2,1-2H3/p+1