(phenylmethyl) 5-(cyclopenta-1,4-dien-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-(cyclopenta-1,4-dien-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-(cyclopenta-1,4-dien-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(1-cyclopenta-1,4-dienylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(cyclopenta-1,4-dien-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(cyclopenta-1,4-dien-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=CCC=C3

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=CCC=C3

InChI

InChI=1S/C21H23NO2/c1-3-18-15(2)20(22-19(18)13-16-9-7-8-10-16)21(23)24-14-17-11-5-4-6-12-17/h4-7,9-12,22H,3,8,13-14H2,1-2H3