O1,O1-diethyl O2-(phenylmethyl) 1-pyrrol-1-ylethane-1,1,2-tricarboxylate

Systemtic Name: O1,O1-diethyl O2-(phenylmethyl) 1-pyrrol-1-ylethane-1,1,2-tricarboxylate Openeye Name: O2-benzyl O1,O1-diethyl 1-pyrrol-1-ylethane-1,1,2-tricarboxylate CAS Name: 1-(1-pyrrolyl)ethane-1,1,2-tricarboxylic acid O1,O1-diethyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O,1-O-diethyl 1-pyrrol-1-ylethane-1,1,2-tricarboxylate Traditional Name: 1-pyrrol-1-ylethane-1,1,2-tricarboxylic acid O2-benzyl ester O1,O1-diethyl ester Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)OCC1=CC=CC=C1)(C(=O)OCC)N2C=CC=C2

Isomeric SMILES

CCOC(=O)C(CC(=O)OCC1=CC=CC=C1)(C(=O)OCC)N2C=CC=C2

InChI

InChI=1S/C20H23NO6/c1-3-25-18(23)20(19(24)26-4-2,21-12-8-9-13-21)14-17(22)27-15-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3