methyl 1-[(3S,5S)-5-(phenethylcarbamoyl)-1-propyl-pyrrolidin-3-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-[(3S,5S)-5-(phenethylcarbamoyl)-1-propyl-pyrrolidin-3-yl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-[(3S,5S)-5-(phenethylcarbamoyl)-1-propyl-pyrrolidin-3-yl]triazole-4-carboxylate CAS Name: 1-[(3S,5S)-5-[oxo-(phenethylamino)methyl]-1-propyl-3-pyrrolidinyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3S,5S)-5-(phenethylcarbamoyl)-1-propylpyrrolidin-3-yl]triazole-4-carboxylate Traditional Name: 1-[(3S,5S)-5-(phenethylcarbamoyl)-1-propyl-pyrrolidin-3-yl]triazole-4-carboxylic acid methyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(CC1C(=O)NCCC2=CC=CC=C2)N3C=C(N=N3)C(=O)OC

Isomeric SMILES

CCCN1C[C@H](C[C@H]1C(=O)NCCC2=CC=CC=C2)N3C=C(N=N3)C(=O)OC

InChI

InChI=1S/C20H27N5O3/c1-3-11-24-13-16(25-14-17(22-23-25)20(27)28-2)12-18(24)19(26)21-10-9-15-7-5-4-6-8-15/h4-8,14,16,18H,3,9-13H2,1-2H3,(H,21,26)/t16-,18-/m0/s1