ethyl 4-(2,6-dimethylhept-5-enyl)-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(2,6-dimethylhept-5-enyl)-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-4-(2,6-dimethylhept-5-enyl)-5-(2-ethoxy-2-oxo-ethyl)pyrrole-3-carboxylate CAS Name: 4-(2,6-dimethylhept-5-enyl)-5-(2-ethoxy-2-oxoethyl)-1-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(2,6-dimethylhept-5-enyl)-5-(2-ethoxy-2-oxoethyl)pyrrole-3-carboxylate Traditional Name: 1-benzyl-4-(2,6-dimethylhept-5-enyl)-5-(2-ethoxy-2-keto-ethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C27H37NO4 MolecularWeight: 439.58698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO4/c1-6-31-26(29)17-25-23(16-21(5)13-11-12-20(3)4)24(27(30)32-7-2)19-28(25)18-22-14-9-8-10-15-22/h8-10,12,14-15,19,21H,6-7,11,13,16-18H2,1-5H3