(phenylmethyl) 4-ethyl-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-ethyl-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-ethyl-5-[(E)-3-methoxy-3-oxo-prop-1-enyl]-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-ethyl-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-ethyl-5-[(E)-3-keto-3-methoxy-prop-1-enyl]-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C=CC(=O)OC

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)/C=C/C(=O)OC

InChI

InChI=1S/C19H21NO4/c1-4-15-13(2)18(20-16(15)10-11-17(21)23-3)19(22)24-12-14-8-6-5-7-9-14/h5-11,20H,4,12H2,1-3H3/b11-10+