methyl (3S,4S)-4-(benzotriazol-1-yl)-3-methyl-hex-5-enoate

Systemtic Name: methyl (3S,4S)-4-(benzotriazol-1-yl)-3-methyl-hex-5-enoate Openeye Name: methyl (3S,4S)-4-(benzotriazol-1-yl)-3-methyl-hex-5-enoate CAS Name: (3S,4S)-4-(1-benzotriazolyl)-3-methyl-5-hexenoic acid methyl ester IUPAC Name: methyl (3S,4S)-4-(benzotriazol-1-yl)-3-methylhex-5-enoate Traditional Name: (3S,4S)-4-(benzotriazol-1-yl)-3-methyl-hex-5-enoic acid methyl ester Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(C=C)N1C2=CC=CC=C2N=N1

Isomeric SMILES

C[C@@H](CC(=O)OC)[C@H](C=C)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H17N3O2/c1-4-12(10(2)9-14(18)19-3)17-13-8-6-5-7-11(13)15-16-17/h4-8,10,12H,1,9H2,2-3H3/t10-,12-/m0/s1