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

Systemtic Name: (phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CNC(=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC1=CNC(=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO4/c1-20-15(18)8-7-13-9-14(17-10-13)16(19)21-11-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8,11H2,1H3