methyl 1-[(2S)-3-phenyl-2-(phenylcarbamoylamino)propyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-[(2S)-3-phenyl-2-(phenylcarbamoylamino)propyl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-[(2S)-3-phenyl-2-(phenylcarbamoylamino)propyl]triazole-4-carboxylate CAS Name: 1-[(2S)-2-[[anilino(oxo)methyl]amino]-3-phenylpropyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-3-phenyl-2-(phenylcarbamoylamino)propyl]triazole-4-carboxylate Traditional Name: 1-[(2S)-3-phenyl-2-(phenylcarbamoylamino)propyl]triazole-4-carboxylic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=N1)CC(CC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(N=N1)C[C@H](CC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3/c1-28-19(26)18-14-25(24-23-18)13-17(12-15-8-4-2-5-9-15)22-20(27)21-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H2,21,22,27)/t17-/m0/s1