benzoic acid; 4-[ethyl(phenethyl)amino]butan-1-ol

Systemtic Name: benzoic acid; 4-[ethyl(phenethyl)amino]butan-1-ol Openeye Name: benzoic acid; 4-[ethyl(phenethyl)amino]butan-1-ol CAS Name: benzoic acid; 4-[ethyl(phenethyl)amino]-1-butanol IUPAC Name: benzoic acid; 4-[ethyl(phenethyl)amino]butan-1-ol Traditional Name: benzoic acid; 4-[ethyl(phenethyl)amino]butan-1-ol Formula: C21H29NO3 MolecularWeight: 343.45986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCO)CCC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCN(CCCCO)CCC1=CC=CC=C1.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H23NO.C7H6O2/c1-2-15(11-6-7-13-16)12-10-14-8-4-3-5-9-14;8-7(9)6-4-2-1-3-5-6/h3-5,8-9,16H,2,6-7,10-13H2,1H3;1-5H,(H,8,9)