ethyl 4-[[1-(4-chlorophenyl)-5-propan-2-yl-1,2,3-triazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(4-chlorophenyl)-5-propan-2-yl-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4-chlorophenyl)-5-isopropyl-triazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-chlorophenyl)-5-propan-2-yl-4-triazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-chlorophenyl)-5-propan-2-yltriazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-chlorophenyl)-5-isopropyl-triazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C(C)C

InChI

InChI=1S/C21H21ClN4O3/c1-4-29-21(28)14-5-9-16(10-6-14)23-20(27)18-19(13(2)3)26(25-24-18)17-11-7-15(22)8-12-17/h5-13H,4H2,1-3H3,(H,23,27)