2-azanyl-3-methyl-benzoate; 3,7-dimethyloct-6-enal

Systemtic Name: 2-azanyl-3-methyl-benzoate; 3,7-dimethyloct-6-enal Openeye Name: 2-amino-3-methyl-benzoate; 3,7-dimethyloct-6-enal CAS Name: 2-amino-3-methylbenzoate; 3,7-dimethyl-6-octenal IUPAC Name: 2-amino-3-methylbenzoate; 3,7-dimethyloct-6-enal Traditional Name: 2-amino-3-methyl-benzoate; 3,7-dimethyloct-6-enal Formula: C18H26NO3- MolecularWeight: 304.40394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)[O-].CC(CCC=C(C)C)CC=O

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)[O-].CC(CCC=C(C)C)CC=O

InChI

InChI=1S/C10H18O.C8H9NO2/c1-9(2)5-4-6-10(3)7-8-11;1-5-3-2-4-6(7(5)9)8(10)11/h5,8,10H,4,6-7H2,1-3H3;2-4H,9H2,1H3,(H,10,11)/p-1