4-[(3-methyl-2-pyridin-3-yl-indol-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(3-methyl-2-pyridin-3-yl-indol-1-yl)methyl]benzoic acid Openeye Name: 4-[[3-methyl-2-(3-pyridyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-methyl-2-(3-pyridinyl)-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzoic acid Traditional Name: 4-[[3-methyl-2-(3-pyridyl)indol-1-yl]methyl]benzoic acid Formula: C22H18N2O2 MolecularWeight: 342.39052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC3=CC=C(C=C3)C(=O)O)C4=CN=CC=C4

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC3=CC=C(C=C3)C(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C22H18N2O2/c1-15-19-6-2-3-7-20(19)24(21(15)18-5-4-12-23-13-18)14-16-8-10-17(11-9-16)22(25)26/h2-13H,14H2,1H3,(H,25,26)