4-phenylbenzaldehyde; 2-phenylethanamine; 2-phenylethanoic acid

Systemtic Name: 4-phenylbenzaldehyde; 2-phenylethanamine; 2-phenylethanoic acid Openeye Name: 2-phenylacetic acid; 4-phenylbenzaldehyde; 2-phenylethanamine CAS Name: 2-phenylacetic acid; 4-phenylbenzaldehyde; 2-phenylethanamine IUPAC Name: 2-phenylacetic acid; 4-phenylbenzaldehyde; 2-phenylethanamine Traditional Name: phenethylamine; 2-phenylacetic acid; 4-phenylbenzaldehyde Formula: C29H29NO3 MolecularWeight: 439.54546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O.C8H11N.C8H8O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7/h1-10H;1-5H,6-7,9H2;1-5H,6H2,(H,9,10)