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

Systemtic Name: 1-(4-butoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(4-butoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(4-butoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(4-butoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(4-butoxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H24N2O3/c1-2-3-12-27-15-10-8-14(9-11-15)20-21-17(13-19(24-20)22(25)26)16-6-4-5-7-18(16)23-21/h4-11,19-20,23-24H,2-3,12-13H2,1H3,(H,25,26)