2-azanyl-3-methyl-benzoate; 2-methyl-3-(4-propan-2-ylphenyl)propanal

Systemtic Name: 2-azanyl-3-methyl-benzoate; 2-methyl-3-(4-propan-2-ylphenyl)propanal Openeye Name: 2-amino-3-methyl-benzoate; 3-(4-isopropylphenyl)-2-methyl-propanal CAS Name: 2-amino-3-methylbenzoate; 2-methyl-3-(4-propan-2-ylphenyl)propanal IUPAC Name: 2-amino-3-methylbenzoate; 2-methyl-3-(4-propan-2-ylphenyl)propanal Traditional Name: 2-amino-3-methyl-benzoate; 2-methyl-3-p-cumenyl-propionaldehyde Formula: C21H26NO3- MolecularWeight: 340.43604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)[O-].CC(C)C1=CC=C(C=C1)CC(C)C=O

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)[O-].CC(C)C1=CC=C(C=C1)CC(C)C=O

InChI

InChI=1S/C13H18O.C8H9NO2/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14;1-5-3-2-4-6(7(5)9)8(10)11/h4-7,9-11H,8H2,1-3H3;2-4H,9H2,1H3,(H,10,11)/p-1