benzoic acid; N-methylpropan-2-amine

Systemtic Name: benzoic acid; N-methylpropan-2-amine Openeye Name: benzoic acid; N-methylpropan-2-amine CAS Name: benzoic acid; N-methyl-2-propanamine IUPAC Name: benzoic acid; N-methylpropan-2-amine Traditional Name: benzoic acid; isopropyl(methyl)amine Formula: C11H17NO2 MolecularWeight: 195.25818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)NC.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C7H6O2.C4H11N/c8-7(9)6-4-2-1-3-5-6;1-4(2)5-3/h1-5H,(H,8,9);4-5H,1-3H3