methyl 4-hexyl-5-methyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-hexyl-5-methyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-benzyl-4-hexyl-5-methyl-pyrrole-3-carboxylate CAS Name: 4-hexyl-5-methyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-hexyl-5-methylpyrrole-3-carboxylate Traditional Name: 1-benzyl-4-hexyl-5-methyl-pyrrole-3-carboxylic acid methyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C=C1C(=O)OC)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCC1=C(N(C=C1C(=O)OC)CC2=CC=CC=C2)C

InChI

InChI=1S/C20H27NO2/c1-4-5-6-10-13-18-16(2)21(15-19(18)20(22)23-3)14-17-11-8-7-9-12-17/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3