1-(2-ethyl-6-methyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 1-(2-ethyl-6-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 1-(2-ethyl-6-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-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:

CCC1=CC=CC(=C1C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)C

Isomeric SMILES

CCC1=CC=CC(=C1C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H22N2O2/c1-3-13-8-6-7-12(2)18(13)20-19-15(11-17(23-20)21(24)25)14-9-4-5-10-16(14)22-19/h4-10,17,20,22-23H,3,11H2,1-2H3,(H,24,25)