2-methyl-4-oxidanyl-benzoate; N-(phenylmethyl)ethanamine

Systemtic Name: 2-methyl-4-oxidanyl-benzoate; N-(phenylmethyl)ethanamine Openeye Name: N-benzylethanamine; 4-hydroxy-2-methyl-benzoate CAS Name: 4-hydroxy-2-methylbenzoate; N-(phenylmethyl)ethanamine IUPAC Name: N-benzylethanamine; 4-hydroxy-2-methylbenzoate Traditional Name: benzyl(ethyl)amine; 4-hydroxy-2-methyl-benzoate Formula: C17H20NO3- MolecularWeight: 286.3456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC=CC=C1.CC1=C(C=CC(=C1)O)C(=O)[O-]

Isomeric SMILES

CCNCC1=CC=CC=C1.CC1=C(C=CC(=C1)O)C(=O)[O-]

InChI

InChI=1S/C9H13N.C8H8O3/c1-2-10-8-9-6-4-3-5-7-9;1-5-4-6(9)2-3-7(5)8(10)11/h3-7,10H,2,8H2,1H3;2-4,9H,1H3,(H,10,11)/p-1