1H-indole-3-carboxylic acid; 4-(1H-indol-5-yl)-3-methyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid

Systemtic Name: 1H-indole-3-carboxylic acid; 4-(1H-indol-5-yl)-3-methyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid Openeye Name: 1H-indole-3-carboxylic acid; 4-(1H-indol-5-yl)-3-methyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid CAS Name: 1H-indole-3-carboxylic acid; 4-(1H-indol-5-yl)-3-methyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid IUPAC Name: 1H-indole-3-carboxylic acid; 4-(1H-indol-5-yl)-3-methyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid Traditional Name: 1H-indole-3-carboxylic acid; 4-(1H-indol-5-yl)-3-methyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2CCC1(CC2)C3=CC4=C(C=C3)NC=C4)C(=O)O.C1=CC=C2C(=C1)C(=CN2)C(=O)O

Isomeric SMILES

CN1C(C2CCC1(CC2)C3=CC4=C(C=C3)NC=C4)C(=O)O.C1=CC=C2C(=C1)C(=CN2)C(=O)O

InChI

InChI=1S/C17H20N2O2.C9H7NO2/c1-19-15(16(20)21)11-4-7-17(19,8-5-11)13-2-3-14-12(10-13)6-9-18-14;11-9(12)7-5-10-8-4-2-1-3-6(7)8/h2-3,6,9-11,15,18H,4-5,7-8H2,1H3,(H,20,21);1-5,10H,(H,11,12)