methyl 3-methanoyl-4,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrrole-2-carboxylate

Systemtic Name: methyl 3-methanoyl-4,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrrole-2-carboxylate Openeye Name: methyl 1-[(E)-cinnamyl]-3-formyl-4,5-dimethyl-pyrrole-2-carboxylate CAS Name: 3-formyl-4,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3-formyl-4,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrrole-2-carboxylate Traditional Name: 1-[(E)-cinnamyl]-3-formyl-4,5-dimethyl-pyrrole-2-carboxylic acid methyl ester Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C=O)C(=O)OC)CC=CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=C1C=O)C(=O)OC)C/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C18H19NO3/c1-13-14(2)19(17(16(13)12-20)18(21)22-3)11-7-10-15-8-5-4-6-9-15/h4-10,12H,11H2,1-3H3/b10-7+