methyl 4-ethyl-5-(phenylmethyl)-1-prop-2-enyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-ethyl-5-(phenylmethyl)-1-prop-2-enyl-pyrrole-2-carboxylate Openeye Name: methyl 1-allyl-5-benzyl-4-ethyl-pyrrole-2-carboxylate CAS Name: 4-ethyl-5-(phenylmethyl)-1-prop-2-enyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-4-ethyl-1-prop-2-enylpyrrole-2-carboxylate Traditional Name: 1-allyl-5-benzyl-4-ethyl-pyrrole-2-carboxylic acid methyl ester Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=C1)C(=O)OC)CC=C)CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(N(C(=C1)C(=O)OC)CC=C)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO2/c1-4-11-19-16(12-14-9-7-6-8-10-14)15(5-2)13-17(19)18(20)21-3/h4,6-10,13H,1,5,11-12H2,2-3H3