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

Systemtic Name: 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(3-phenethyloxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)OCCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)OCCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H24N2O3/c29-26(30)23-16-21-20-11-4-5-12-22(20)27-25(21)24(28-23)18-9-6-10-19(15-18)31-14-13-17-7-2-1-3-8-17/h1-12,15,23-24,27-28H,13-14,16H2,(H,29,30)