methyl 3-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(2-phenyltriazole-4-carbonyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[oxo-(2-phenyl-4-triazolyl)methyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-phenyltriazole-4-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(2-phenyltriazole-4-carbonyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-29-21(28)15-9-10-19(25-11-5-6-12-25)17(13-15)23-20(27)18-14-22-26(24-18)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3,(H,23,27)