2-(2-oxidanyl-4-propyl-phenyl)carbonylbenzoic acid; 2-phenylethanamine

Systemtic Name: 2-(2-oxidanyl-4-propyl-phenyl)carbonylbenzoic acid; 2-phenylethanamine Openeye Name: 2-(2-hydroxy-4-propyl-benzoyl)benzoic acid; 2-phenylethanamine CAS Name: 2-[(2-hydroxy-4-propylphenyl)-oxomethyl]benzoic acid; 2-phenylethanamine IUPAC Name: 2-(2-hydroxy-4-propylbenzoyl)benzoic acid; 2-phenylethanamine Traditional Name: 2-(2-hydroxy-4-propyl-benzoyl)benzoic acid; phenethylamine Formula: C25H27NO4 MolecularWeight: 405.48618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O.C1=CC=C(C=C1)CCN

Isomeric SMILES

CCCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C17H16O4.C8H11N/c1-2-5-11-8-9-14(15(18)10-11)16(19)12-6-3-4-7-13(12)17(20)21;9-7-6-8-4-2-1-3-5-8/h3-4,6-10,18H,2,5H2,1H3,(H,20,21);1-5H,6-7,9H2