3-(4-methoxyphenyl)butanoic acid; 1-phenylethanamine

Systemtic Name: 3-(4-methoxyphenyl)butanoic acid; 1-phenylethanamine Openeye Name: 3-(4-methoxyphenyl)butanoic acid; 1-phenylethanamine CAS Name: 3-(4-methoxyphenyl)butanoic acid; 1-phenylethanamine IUPAC Name: 3-(4-methoxyphenyl)butanoic acid; 1-phenylethanamine Traditional Name: 3-(4-methoxyphenyl)butyric acid; 1-phenylethylamine Formula: C19H25NO3 MolecularWeight: 315.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C1=CC=C(C=C1)OC.CC(C1=CC=CC=C1)N

Isomeric SMILES

CC(CC(=O)O)C1=CC=C(C=C1)OC.CC(C1=CC=CC=C1)N

InChI

InChI=1S/C11H14O3.C8H11N/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9;1-7(9)8-5-3-2-4-6-8/h3-6,8H,7H2,1-2H3,(H,12,13);2-7H,9H2,1H3