ethyl 3,5-dimethyl-4-[4-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]piperidin-1-yl]carbonyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[4-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]piperidin-1-yl]carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[4-[2-oxo-2-(3-pyridylmethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[4-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-1-piperidinyl]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[2-keto-2-(3-pyridylmethylamino)ethyl]piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC(CC2)CC(=O)NCC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC(CC2)CC(=O)NCC3=CN=CC=C3)C

InChI

InChI=1S/C23H30N4O4/c1-4-31-23(30)21-15(2)20(16(3)26-21)22(29)27-10-7-17(8-11-27)12-19(28)25-14-18-6-5-9-24-13-18/h5-6,9,13,17,26H,4,7-8,10-12,14H2,1-3H3,(H,25,28)