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

Systemtic Name: 1-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=C1C3=CC=CC=C3N2)CCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(NC(C2=C1C3=CC=CC=C3N2)CCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N2O2/c24-21(25)19-13-16-15-10-4-5-11-17(15)23-20(16)18(22-19)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18-19,22-23H,6,9,12-13H2,(H,24,25)