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

Systemtic Name: methyl 1-(3-methoxy-4-phenethyloxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(3-methoxy-4-phenethyloxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(3-methoxy-4-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-methoxy-4-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(3-methoxy-4-phenethyloxy-phenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)OCCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)OCCC5=CC=CC=C5

InChI

InChI=1S/C28H28N2O4/c1-32-25-16-19(12-13-24(25)34-15-14-18-8-4-3-5-9-18)26-27-21(17-23(30-26)28(31)33-2)20-10-6-7-11-22(20)29-27/h3-13,16,23,26,29-30H,14-15,17H2,1-2H3