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

Systemtic Name: 1-(4-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(4-benzyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(4-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(4-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(4-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=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

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