diethyl 2-[(6R)-6-(benzotriazol-1-yl)oct-7-enyl]propanedioate

Systemtic Name: diethyl 2-[(6R)-6-(benzotriazol-1-yl)oct-7-enyl]propanedioate Openeye Name: diethyl 2-[(6R)-6-(benzotriazol-1-yl)oct-7-enyl]propanedioate CAS Name: 2-[(6R)-6-(1-benzotriazolyl)oct-7-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(6R)-6-(benzotriazol-1-yl)oct-7-enyl]propanedioate Traditional Name: 2-[(6R)-6-(benzotriazol-1-yl)oct-7-enyl]malonic acid diethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCC(C=C)N1C2=CC=CC=C2N=N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCCC[C@H](C=C)N1C2=CC=CC=C2N=N1)C(=O)OCC

InChI

InChI=1S/C21H29N3O4/c1-4-16(24-19-15-11-10-14-18(19)22-23-24)12-8-7-9-13-17(20(25)27-5-2)21(26)28-6-3/h4,10-11,14-17H,1,5-9,12-13H2,2-3H3/t16-/m0/s1