[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C21H23N5O3/c1-3-7-19(16-8-5-4-6-9-16)23-20(27)15(2)29-21(28)17-10-12-18(13-11-17)26-14-22-24-25-26/h4-6,8-15,19H,3,7H2,1-2H3,(H,23,27)