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

Systemtic Name: 1-(2-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(2-benzyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(2-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(2-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(2-benzoxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H22N2O3/c28-25(29)21-14-19-17-10-4-6-12-20(17)26-24(19)23(27-21)18-11-5-7-13-22(18)30-15-16-8-2-1-3-9-16/h1-13,21,23,26-27H,14-15H2,(H,28,29)