(Z)-4-(7-methyloctylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-(7-methyloctylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-(7-methyloctylamino)-4-oxo-but-2-enoic acid CAS Name: (Z)-4-(7-methyloctylamino)-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-(7-methyloctylamino)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-(7-methyloctylamino)but-2-enoic acid Formula: C13H23NO3 MolecularWeight: 241.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCNC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)CCCCCCNC(=O)/C=C\C(=O)O

InChI

InChI=1S/C13H23NO3/c1-11(2)7-5-3-4-6-10-14-12(15)8-9-13(16)17/h8-9,11H,3-7,10H2,1-2H3,(H,14,15)(H,16,17)/b9-8-