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

Systemtic Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl] ester Formula: C25H19N5O3 MolecularWeight: 437.45006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=CC=C(C=C4)N5C=NN=N5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=CC=C(C=C4)N5C=NN=N5

InChI

InChI=1S/C25H19N5O3/c1-29-21-10-6-5-9-20(21)23(24(29)17-7-3-2-4-8-17)22(31)15-33-25(32)18-11-13-19(14-12-18)30-16-26-27-28-30/h2-14,16H,15H2,1H3