(phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(3-methoxy-3-oxo-propyl)-5-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-keto-3-methoxy-propyl)-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC

Isomeric SMILES

CC1=C(C=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC

InChI

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