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

Systemtic Name: 2-[(3-ethoxy-4-oxidanyl-phenyl)-oxidanyl-methyl]-6-phenyl-1-phenylazanyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 1-anilino-2-[(3-ethoxy-4-hydroxy-phenyl)-hydroxy-methyl]-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 1-anilino-2-[(3-ethoxy-4-hydroxyphenyl)-hydroxymethyl]-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 1-anilino-2-[(3-ethoxy-4-hydroxyphenyl)-hydroxymethyl]-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 1-anilino-2-[(3-ethoxy-4-hydroxy-phenyl)-hydroxy-methyl]-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2C=CC3C(N2NC4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2C=CC3C(N2NC4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5)O)O

InChI

InChI=1S/C28H27N3O5/c1-2-36-24-17-18(13-16-23(24)32)26(33)22-15-14-21-25(31(22)29-19-9-5-3-6-10-19)28(35)30(27(21)34)20-11-7-4-8-12-20/h3-17,21-22,25-26,29,32-33H,2H2,1H3