(E)-4-(1-azanyl-6-methyl-heptan-4-yl)oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(1-azanyl-6-methyl-heptan-4-yl)oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[1-(3-aminopropyl)-3-methyl-butoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-(1-amino-6-methylheptan-4-yl)oxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(1-amino-6-methylheptan-4-yl)oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[1-(3-aminopropyl)-3-methyl-butoxy]-4-keto-but-2-enoic acid Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCCN)OC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)CC(CCCN)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H21NO4/c1-9(2)8-10(4-3-7-13)17-12(16)6-5-11(14)15/h5-6,9-10H,3-4,7-8,13H2,1-2H3,(H,14,15)/b6-5+