ethyl 4-(2-chlorophenyl)-6-cyclohexyl-5-oxidanylidene-2-[2-(2,4,5-trimethylimidazol-1-yl)ethoxymethyl]-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-6-cyclohexyl-5-oxidanylidene-2-[2-(2,4,5-trimethylimidazol-1-yl)ethoxymethyl]-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-6-cyclohexyl-5-oxo-2-[2-(2,4,5-trimethylimidazol-1-yl)ethoxymethyl]-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-6-cyclohexyl-5-oxo-2-[2-(2,4,5-trimethyl-1-imidazolyl)ethoxymethyl]-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-6-cyclohexyl-5-oxo-2-[2-(2,4,5-trimethylimidazol-1-yl)ethoxymethyl]-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-6-cyclohexyl-5-keto-2-[2-(2,4,5-trimethylimidazol-1-yl)ethoxymethyl]-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C31H39ClN4O4 MolecularWeight: 567.11876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3Cl)C(=O)N(C2)C4CCCCC4)COCCN5C(=C(N=C5C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3Cl)C(=O)N(C2)C4CCCCC4)COCCN5C(=C(N=C5C)C)C

InChI

InChI=1S/C31H39ClN4O4/c1-5-40-31(38)29-26(18-39-16-15-35-20(3)19(2)33-21(35)4)34-25-17-36(22-11-7-6-8-12-22)30(37)28(25)27(29)23-13-9-10-14-24(23)32/h9-10,13-14,22,27,34H,5-8,11-12,15-18H2,1-4H3