(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4)N=N1

InChI

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