(E)-4-ethyl-9-methyl-5-methylidene-3-(1H-1,2,4-triazol-5-ylcarbamoyl)undec-8-enoic acid

Systemtic Name: (E)-4-ethyl-9-methyl-5-methylidene-3-(1H-1,2,4-triazol-5-ylcarbamoyl)undec-8-enoic acid Openeye Name: (E)-4-ethyl-9-methyl-5-methylene-3-(1H-1,2,4-triazol-5-ylcarbamoyl)undec-8-enoic acid CAS Name: (E)-4-ethyl-9-methyl-5-methylene-3-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]-8-undecenoic acid IUPAC Name: (E)-4-ethyl-9-methyl-5-methylidene-3-(1H-1,2,4-triazol-5-ylcarbamoyl)undec-8-enoic acid Traditional Name: (E)-4-ethyl-9-methyl-5-methylene-3-(1H-1,2,4-triazol-5-ylcarbamoyl)undec-8-enoic acid Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)O)C(=O)NC1=NC=NN1)C(=C)CCC=C(C)CC

Isomeric SMILES

CCC(C(CC(=O)O)C(=O)NC1=NC=NN1)C(=C)CC/C=C(\C)/CC

InChI

InChI=1S/C18H28N4O3/c1-5-12(3)8-7-9-13(4)14(6-2)15(10-16(23)24)17(25)21-18-19-11-20-22-18/h8,11,14-15H,4-7,9-10H2,1-3H3,(H,23,24)(H2,19,20,21,22,25)/b12-8+