4-[5-(1H-indol-4-ylmethylamino)-1,2,3,4-tetrazol-1-yl]-2,6-dimethyl-benzoic acid

Systemtic Name: 4-[5-(1H-indol-4-ylmethylamino)-1,2,3,4-tetrazol-1-yl]-2,6-dimethyl-benzoic acid Openeye Name: 4-[5-(1H-indol-4-ylmethylamino)tetrazol-1-yl]-2,6-dimethyl-benzoic acid CAS Name: 4-[5-(1H-indol-4-ylmethylamino)-1-tetrazolyl]-2,6-dimethylbenzoic acid IUPAC Name: 4-[5-(1H-indol-4-ylmethylamino)tetrazol-1-yl]-2,6-dimethylbenzoic acid Traditional Name: 4-[5-(1H-indol-4-ylmethylamino)tetrazol-1-yl]-2,6-dimethyl-benzoic acid Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)O)C)N2C(=NN=N2)NCC3=C4C=CNC4=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)O)C)N2C(=NN=N2)NCC3=C4C=CNC4=CC=C3

InChI

InChI=1S/C19H18N6O2/c1-11-8-14(9-12(2)17(11)18(26)27)25-19(22-23-24-25)21-10-13-4-3-5-16-15(13)6-7-20-16/h3-9,20H,10H2,1-2H3,(H,26,27)(H,21,22,24)