[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=CC(=CC=C3)N4C=NN=N4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=CC(=CC=C3)N4C=NN=N4

InChI

InChI=1S/C20H17N5O3/c1-12-18(16-8-3-4-9-17(16)22-12)19(26)13(2)28-20(27)14-6-5-7-15(10-14)25-11-21-23-24-25/h3-11,13,22H,1-2H3