ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-4-[(E)-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2,5-dimethyl-4-[(E)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]pyrrole-3-carboxylate Traditional Name: 1-ethyl-4-[(E)-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)NCC2=CN=CC=C2)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)NCC2=CN=CC=C2)C

InChI

InChI=1S/C20H25N3O3/c1-5-23-14(3)17(19(15(23)4)20(25)26-6-2)9-10-18(24)22-13-16-8-7-11-21-12-16/h7-12H,5-6,13H2,1-4H3,(H,22,24)/b10-9+