methyl 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C(N1)C3=CC(=CC=C3)OCCC4=CC=CC=C4)NC5=CC=CC=C25

Isomeric SMILES

COC(=O)C1CC2=C(C(N1)C3=CC(=CC=C3)OCCC4=CC=CC=C4)NC5=CC=CC=C25

InChI

InChI=1S/C27H26N2O3/c1-31-27(30)24-17-22-21-12-5-6-13-23(21)28-26(22)25(29-24)19-10-7-11-20(16-19)32-15-14-18-8-3-2-4-9-18/h2-13,16,24-25,28-29H,14-15,17H2,1H3