1-(3-butoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Systemtic Name: 1-(3-butoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Openeye Name: 6-benzyloxy-1-(3-butoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole CAS Name: 1-(3-butoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole IUPAC Name: 1-(3-butoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Traditional Name: 6-benzoxy-1-(3-butoxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carboline Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H30N2O2/c1-2-3-16-31-22-11-7-10-21(17-22)27-28-24(14-15-29-27)25-18-23(12-13-26(25)30-28)32-19-20-8-5-4-6-9-20/h4-13,17-18,27,29-30H,2-3,14-16,19H2,1H3