(1R,3R)-1-ethyl-2-(phenylcarbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: (1R,3R)-1-ethyl-2-(phenylcarbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: (1R,3R)-2-benzoyl-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: (1R,3R)-2-benzoyl-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: (1R,3R)-2-benzoyl-1-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: (1R,3R)-2-benzoyl-1-ethyl-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CC(N1C(=O)C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4N2

Isomeric SMILES

CC[C@@H]1C2=C(C[C@@H](N1C(=O)C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4N2

InChI

InChI=1S/C21H20N2O3/c1-2-17-19-15(14-10-6-7-11-16(14)22-19)12-18(21(25)26)23(17)20(24)13-8-4-3-5-9-13/h3-11,17-18,22H,2,12H2,1H3,(H,25,26)/t17-,18-/m1/s1