ethyl 4-[4-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxidanylidene-2-phenethyl-7-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 4-[4-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxidanylidene-2-phenethyl-7-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 4-[4-(2-furylmethylcarbamoyl)phenyl]-7-isopropyl-5-oxo-2-phenethyl-6,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate CAS Name: 4-[4-[(2-furanylmethylamino)-oxomethyl]phenyl]-5-oxo-2-phenethyl-7-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxo-2-phenethyl-7-propan-2-yl-6,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate Traditional Name: 4-[4-(2-furfurylcarbamoyl)phenyl]-7-isopropyl-5-keto-2-phenethyl-6,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C33H33N3O5 MolecularWeight: 551.63222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C(NC(=O)C2=C1C3=CC=C(C=C3)C(=O)NCC4=CC=CO4)C(C)C)CCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N=C2C(NC(=O)C2=C1C3=CC=C(C=C3)C(=O)NCC4=CC=CO4)C(C)C)CCC5=CC=CC=C5

InChI

InChI=1S/C33H33N3O5/c1-4-40-33(39)27-25(17-12-21-9-6-5-7-10-21)35-30-28(32(38)36-29(30)20(2)3)26(27)22-13-15-23(16-14-22)31(37)34-19-24-11-8-18-41-24/h5-11,13-16,18,20,29H,4,12,17,19H2,1-3H3,(H,34,37)(H,36,38)