ethyl 2-methyl-1-[3-oxidanylidene-3-(pyridin-3-ylamino)propyl]-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[3-oxidanylidene-3-(pyridin-3-ylamino)propyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-oxo-3-(3-pyridylamino)propyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[3-oxo-3-(3-pyridinylamino)propyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[3-oxo-3-(pyridin-3-ylamino)propyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-(3-pyridylamino)propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)NC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)NC3=CN=CC=C3)C

InChI

InChI=1S/C22H23N3O3/c1-3-28-22(27)19-14-20(17-8-5-4-6-9-17)25(16(19)2)13-11-21(26)24-18-10-7-12-23-15-18/h4-10,12,14-15H,3,11,13H2,1-2H3,(H,24,26)