ethyl 4-but-3-enyl-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-but-3-enyl-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-4-but-3-enyl-5-(2-ethoxy-2-oxo-ethyl)pyrrole-3-carboxylate CAS Name: 4-but-3-enyl-5-(2-ethoxy-2-oxoethyl)-1-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-but-3-enyl-5-(2-ethoxy-2-oxoethyl)pyrrole-3-carboxylate Traditional Name: 1-benzyl-4-but-3-enyl-5-(2-ethoxy-2-keto-ethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=CN1CC2=CC=CC=C2)C(=O)OCC)CCC=C

Isomeric SMILES

CCOC(=O)CC1=C(C(=CN1CC2=CC=CC=C2)C(=O)OCC)CCC=C

InChI

InChI=1S/C22H27NO4/c1-4-7-13-18-19(22(25)27-6-3)16-23(15-17-11-9-8-10-12-17)20(18)14-21(24)26-5-2/h4,8-12,16H,1,5-7,13-15H2,2-3H3