16-methylheptadecyl (E)-3-(1,2,4-triazol-1-yl)prop-2-enoate

Systemtic Name: 16-methylheptadecyl (E)-3-(1,2,4-triazol-1-yl)prop-2-enoate Openeye Name: 16-methylheptadecyl (E)-3-(1,2,4-triazol-1-yl)prop-2-enoate CAS Name: (E)-3-(1,2,4-triazol-1-yl)-2-propenoic acid 16-methylheptadecyl ester IUPAC Name: 16-methylheptadecyl (E)-3-(1,2,4-triazol-1-yl)prop-2-enoate Traditional Name: (E)-3-(1,2,4-triazol-1-yl)acrylic acid 16-methylheptadecyl ester Formula: C23H41N3O2 MolecularWeight: 391.59054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOC(=O)C=CN1C=NC=N1

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOC(=O)/C=C/N1C=NC=N1

InChI

InChI=1S/C23H41N3O2/c1-22(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-19-28-23(27)17-18-26-21-24-20-25-26/h17-18,20-22H,3-16,19H2,1-2H3/b18-17+