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

Systemtic Name: ethyl 9-azanyl-2-(3,5-dimethyl-4-oxidanyl-phenyl)-8-methoxy-3,6,6-trimethyl-5H-pyrrolo[2,1-a]isoquinoline-1-carboxylate Openeye Name: ethyl 9-amino-2-(4-hydroxy-3,5-dimethyl-phenyl)-8-methoxy-3,6,6-trimethyl-5H-pyrrolo[2,1-a]isoquinoline-1-carboxylate CAS Name: 9-amino-2-(4-hydroxy-3,5-dimethylphenyl)-8-methoxy-3,6,6-trimethyl-5H-pyrrolo[2,1-a]isoquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 9-amino-2-(4-hydroxy-3,5-dimethylphenyl)-8-methoxy-3,6,6-trimethyl-5H-pyrrolo[2,1-a]isoquinoline-1-carboxylate Traditional Name: 9-amino-2-(4-hydroxy-3,5-dimethyl-phenyl)-8-methoxy-3,6,6-trimethyl-5H-pyrrol[2,1-a]isoquinoline-1-carboxylic acid ethyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC(=C(C=C3C(CN2C(=C1C4=CC(=C(C(=C4)C)O)C)C)(C)C)OC)N

Isomeric SMILES

CCOC(=O)C1=C2C3=CC(=C(C=C3C(CN2C(=C1C4=CC(=C(C(=C4)C)O)C)C)(C)C)OC)N

InChI

InChI=1S/C27H32N2O4/c1-8-33-26(31)23-22(17-9-14(2)25(30)15(3)10-17)16(4)29-13-27(5,6)19-12-21(32-7)20(28)11-18(19)24(23)29/h9-12,30H,8,13,28H2,1-7H3