1-(5-chloranyl-2-ethoxy-4-methyl-phenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Systemtic Name: 1-(5-chloranyl-2-ethoxy-4-methyl-phenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Openeye Name: 6-benzyloxy-1-(5-chloro-2-ethoxy-4-methyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole CAS Name: 1-(5-chloro-2-ethoxy-4-methylphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole IUPAC Name: 1-(5-chloro-2-ethoxy-4-methylphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Traditional Name: 6-benzoxy-1-(5-chloro-2-ethoxy-4-methyl-phenyl)-2,3,4,9-tetrahydro-1H-$b-carboline Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5)Cl)C

Isomeric SMILES

CCOC1=CC(=C(C=C1C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5)Cl)C

InChI

InChI=1S/C27H27ClN2O2/c1-3-31-25-13-17(2)23(28)15-22(25)26-27-20(11-12-29-26)21-14-19(9-10-24(21)30-27)32-16-18-7-5-4-6-8-18/h4-10,13-15,26,29-30H,3,11-12,16H2,1-2H3