methyl 4-(3-methylbutanoyl)-1-(naphthalen-1-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-(3-methylbutanoyl)-1-(naphthalen-1-ylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 4-(3-methylbutanoyl)-1-(1-naphthylmethyl)pyrrole-3-carboxylate CAS Name: 4-(3-methyl-1-oxobutyl)-1-(1-naphthalenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-methylbutanoyl)-1-(naphthalen-1-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-isovaleryl-1-(1-naphthylmethyl)pyrrole-3-carboxylic acid methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CN(C=C1C(=O)OC)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)CC(=O)C1=CN(C=C1C(=O)OC)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H23NO3/c1-15(2)11-21(24)19-13-23(14-20(19)22(25)26-3)12-17-9-6-8-16-7-4-5-10-18(16)17/h4-10,13-15H,11-12H2,1-3H3