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

Systemtic Name: 2-[(4-methoxy-3-phenylmethoxy-phenyl)-oxidanyl-methyl]-6-methyl-1-phenylazanyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Openeye Name: 1-anilino-2-[(3-benzyloxy-4-methoxy-phenyl)-hydroxy-methyl]-6-methyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione CAS Name: 1-anilino-2-[hydroxy-(4-methoxy-3-phenylmethoxyphenyl)methyl]-6-methyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione IUPAC Name: 1-anilino-2-[hydroxy-(4-methoxy-3-phenylmethoxyphenyl)methyl]-6-methyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione Traditional Name: 1-anilino-2-[(3-benzoxy-4-methoxy-phenyl)-hydroxy-methyl]-6-methyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-quinone Formula: C29H29N3O5 MolecularWeight: 499.55766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C=CC(N(C2C1=O)NC3=CC=CC=C3)C(C4=CC(=C(C=C4)OC)OCC5=CC=CC=C5)O

Isomeric SMILES

CN1C(=O)C2C=CC(N(C2C1=O)NC3=CC=CC=C3)C(C4=CC(=C(C=C4)OC)OCC5=CC=CC=C5)O

InChI

InChI=1S/C29H29N3O5/c1-31-28(34)22-14-15-23(32(26(22)29(31)35)30-21-11-7-4-8-12-21)27(33)20-13-16-24(36-2)25(17-20)37-18-19-9-5-3-6-10-19/h3-17,22-23,26-27,30,33H,18H2,1-2H3