2-[(3-ethoxy-4-oxidanyl-phenyl)-oxidanyl-methyl]-6-methyl-1-piperidin-1-yl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

Systemtic Name: 2-[(3-ethoxy-4-oxidanyl-phenyl)-oxidanyl-methyl]-6-methyl-1-piperidin-1-yl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 2-[(3-ethoxy-4-hydroxy-phenyl)-hydroxy-methyl]-6-methyl-1-(1-piperidyl)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 2-[(3-ethoxy-4-hydroxyphenyl)-hydroxymethyl]-6-methyl-1-(1-piperidinyl)-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 2-[(3-ethoxy-4-hydroxyphenyl)-hydroxymethyl]-6-methyl-1-piperidin-1-yl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 2-[(3-ethoxy-4-hydroxy-phenyl)-hydroxy-methyl]-6-methyl-1-piperidino-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2C=CC3C(N2N4CCCCC4)C(=O)N(C3=O)C)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2C=CC3C(N2N4CCCCC4)C(=O)N(C3=O)C)O)O

InChI

InChI=1S/C22H29N3O5/c1-3-30-18-13-14(7-10-17(18)26)20(27)16-9-8-15-19(22(29)23(2)21(15)28)25(16)24-11-5-4-6-12-24/h7-10,13,15-16,19-20,26-27H,3-6,11-12H2,1-2H3