diethyl 2-[(4R)-4-(benzotriazol-2-yl)hex-5-enyl]propanedioate

Systemtic Name: diethyl 2-[(4R)-4-(benzotriazol-2-yl)hex-5-enyl]propanedioate Openeye Name: diethyl 2-[(4R)-4-(benzotriazol-2-yl)hex-5-enyl]propanedioate CAS Name: 2-[(4R)-4-(2-benzotriazolyl)hex-5-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4R)-4-(benzotriazol-2-yl)hex-5-enyl]propanedioate Traditional Name: 2-[(4R)-4-(benzotriazol-2-yl)hex-5-enyl]malonic acid diethyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(C=C)N1N=C2C=CC=CC2=N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC[C@H](C=C)N1N=C2C=CC=CC2=N1)C(=O)OCC

InChI

InChI=1S/C19H25N3O4/c1-4-14(22-20-16-12-7-8-13-17(16)21-22)10-9-11-15(18(23)25-5-2)19(24)26-6-3/h4,7-8,12-15H,1,5-6,9-11H2,2-3H3/t14-/m0/s1