2-[benzotriazol-1-yl-[(4-chlorophenyl)carbonylamino]methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[benzotriazol-1-yl-[(4-chlorophenyl)carbonylamino]methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[benzotriazol-1-yl-[(4-chlorobenzoyl)amino]methyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[1-benzotriazolyl-[[(4-chlorophenyl)-oxomethyl]amino]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[benzotriazol-1-yl-[(4-chlorobenzoyl)amino]methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[benzotriazol-1-yl-[(4-chlorobenzoyl)amino]methyl]pyrrolidine-1-carboxylic acid Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)O)C(NC(=O)C2=CC=C(C=C2)Cl)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC(N(C1)C(=O)O)C(NC(=O)C2=CC=C(C=C2)Cl)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18ClN5O3/c20-13-9-7-12(8-10-13)18(26)21-17(16-6-3-11-24(16)19(27)28)25-15-5-2-1-4-14(15)22-23-25/h1-2,4-5,7-10,16-17H,3,6,11H2,(H,21,26)(H,27,28)