ethyl 3-[(1-cyclopentylbenzotriazol-5-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(1-cyclopentylbenzotriazol-5-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(1-cyclopentylbenzotriazole-5-carbonyl)amino]benzoate CAS Name: 3-[[(1-cyclopentyl-5-benzotriazolyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(1-cyclopentylbenzotriazole-5-carbonyl)amino]benzoate Traditional Name: 3-[(1-cyclopentylbenzotriazole-5-carbonyl)amino]benzoic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)N(N=N3)C4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)N(N=N3)C4CCCC4

InChI

InChI=1S/C21H22N4O3/c1-2-28-21(27)15-6-5-7-16(12-15)22-20(26)14-10-11-19-18(13-14)23-24-25(19)17-8-3-4-9-17/h5-7,10-13,17H,2-4,8-9H2,1H3,(H,22,26)