ethyl 5-(3,5-dimethyl-4-oxidanyl-phenyl)-8,9-dimethoxy-3,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-1-carboxylate

Systemtic Name: ethyl 5-(3,5-dimethyl-4-oxidanyl-phenyl)-8,9-dimethoxy-3,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-1-carboxylate Openeye Name: ethyl 5-(4-hydroxy-3,5-dimethyl-phenyl)-8,9-dimethoxy-3,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-1-carboxylate CAS Name: 5-(4-hydroxy-3,5-dimethylphenyl)-8,9-dimethoxy-3,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-hydroxy-3,5-dimethylphenyl)-8,9-dimethoxy-3,5-dimethyl-6H-pyrrolo[2,1-a]isoquinoline-1-carboxylate Traditional Name: 5-(4-hydroxy-3,5-dimethyl-phenyl)-8,9-dimethoxy-3,5-dimethyl-6H-pyrrol[2,1-a]isoquinoline-1-carboxylic acid ethyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC(=C(C=C3CC(N2C(=C1)C)(C)C4=CC(=C(C(=C4)C)O)C)OC)OC

Isomeric SMILES

CCOC(=O)C1=C2C3=CC(=C(C=C3CC(N2C(=C1)C)(C)C4=CC(=C(C(=C4)C)O)C)OC)OC

InChI

InChI=1S/C27H31NO5/c1-8-33-26(30)21-11-17(4)28-24(21)20-13-23(32-7)22(31-6)12-18(20)14-27(28,5)19-9-15(2)25(29)16(3)10-19/h9-13,29H,8,14H2,1-7H3