methyl 1,2-bis(3-hydroxyphenyl)-9-methoxy-8-oxidanyl-pyrrolo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: methyl 1,2-bis(3-hydroxyphenyl)-9-methoxy-8-oxidanyl-pyrrolo[2,1-a]isoquinoline-3-carboxylate Openeye Name: methyl 8-hydroxy-1,2-bis(3-hydroxyphenyl)-9-methoxy-pyrrolo[2,1-a]isoquinoline-3-carboxylate CAS Name: 8-hydroxy-1,2-bis(3-hydroxyphenyl)-9-methoxy-3-pyrrolo[2,1-a]isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 8-hydroxy-1,2-bis(3-hydroxyphenyl)-9-methoxypyrrolo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 8-hydroxy-1,2-bis(3-hydroxyphenyl)-9-methoxy-pyrrol[2,1-a]isoquinoline-3-carboxylic acid methyl ester Formula: C27H21NO6 MolecularWeight: 455.45874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CN3C(=C(C(=C3C(=O)OC)C4=CC(=CC=C4)O)C5=CC(=CC=C5)O)C2=C1)O

Isomeric SMILES

COC1=C(C=C2C=CN3C(=C(C(=C3C(=O)OC)C4=CC(=CC=C4)O)C5=CC(=CC=C5)O)C2=C1)O

InChI

InChI=1S/C27H21NO6/c1-33-22-14-20-15(13-21(22)31)9-10-28-25(20)23(16-5-3-7-18(29)11-16)24(26(28)27(32)34-2)17-6-4-8-19(30)12-17/h3-14,29-31H,1-2H3