5-(3-methoxyphenyl)-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxylate

Systemtic Name: 5-(3-methoxyphenyl)-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxylate Openeye Name: 1-isobutyl-5-(3-methoxyphenyl)-2-methyl-pyrrole-3-carboxylate CAS Name: 5-(3-methoxyphenyl)-2-methyl-1-(2-methylpropyl)-3-pyrrolecarboxylate IUPAC Name: 5-(3-methoxyphenyl)-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxylate Traditional Name: 1-isobutyl-5-(3-methoxyphenyl)-2-methyl-pyrrole-3-carboxylate Formula: C17H20NO3- MolecularWeight: 286.3456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC(C)C)C2=CC(=CC=C2)OC)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1CC(C)C)C2=CC(=CC=C2)OC)C(=O)[O-]

InChI

InChI=1S/C17H21NO3/c1-11(2)10-18-12(3)15(17(19)20)9-16(18)13-6-5-7-14(8-13)21-4/h5-9,11H,10H2,1-4H3,(H,19,20)/p-1