ethyl 9-butyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 9-butyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 9-butyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate CAS Name: 9-butyl-1-(3,4,5-trimethoxyphenyl)-3-pyrido[3,4-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 9-butyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate Traditional Name: 9-butyl-1-(3,4,5-trimethoxyphenyl)-$b-carboline-3-carboxylic acid ethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC(=NC(=C31)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OCC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=CC(=NC(=C31)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OCC

InChI

InChI=1S/C27H30N2O5/c1-6-8-13-29-21-12-10-9-11-18(21)19-16-20(27(30)34-7-2)28-24(25(19)29)17-14-22(31-3)26(33-5)23(15-17)32-4/h9-12,14-16H,6-8,13H2,1-5H3