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

Systemtic Name: ethyl (3S,4R)-4-(benzotriazol-1-yl)-4-ethoxy-3-methyl-hex-5-enoate Openeye Name: ethyl (3S,4R)-4-(benzotriazol-1-yl)-4-ethoxy-3-methyl-hex-5-enoate CAS Name: (3S,4R)-4-(1-benzotriazolyl)-4-ethoxy-3-methyl-5-hexenoic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(benzotriazol-1-yl)-4-ethoxy-3-methylhex-5-enoate Traditional Name: (3S,4R)-4-(benzotriazol-1-yl)-4-ethoxy-3-methyl-hex-5-enoic acid ethyl ester Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3/c1-5-17(23-7-3,13(4)12-16(21)22-6-2)20-15-11-9-8-10-14(15)18-19-20/h5,8-11,13H,1,6-7,12H2,2-4H3/t13-,17+/m0/s1