3-[5-(phenylcarbonyloxymethyl)-3-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-ynyl benzoate

Systemtic Name: 3-[5-(phenylcarbonyloxymethyl)-3-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-ynyl benzoate Openeye Name: 3-[5-(benzoyloxymethyl)-3-benzyl-triazol-4-yl]prop-2-ynyl benzoate CAS Name: benzoic acid 3-[5-(benzoyloxymethyl)-3-(phenylmethyl)-4-triazolyl]prop-2-ynyl ester IUPAC Name: 3-[5-(benzoyloxymethyl)-3-benzyltriazol-4-yl]prop-2-ynyl benzoate Traditional Name: benzoic acid 3-[5-(benzoyloxymethyl)-3-benzyl-triazol-4-yl]prop-2-ynyl ester Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(N=N2)COC(=O)C3=CC=CC=C3)C#CCOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(N=N2)COC(=O)C3=CC=CC=C3)C#CCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H21N3O4/c31-26(22-13-6-2-7-14-22)33-18-10-17-25-24(20-34-27(32)23-15-8-3-9-16-23)28-29-30(25)19-21-11-4-1-5-12-21/h1-9,11-16H,18-20H2