(phenylmethyl) 3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1CCC(=O)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CNC(=C1CCC(=O)OC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4/c1-12-10-18-16(14(12)8-9-15(19)21-2)17(20)22-11-13-6-4-3-5-7-13/h3-7,10,18H,8-9,11H2,1-2H3