4-ethoxybenzaldehyde; 2-phenylethanamine; 2-phenylethanoic acid

Systemtic Name: 4-ethoxybenzaldehyde; 2-phenylethanamine; 2-phenylethanoic acid Openeye Name: 4-ethoxybenzaldehyde; 2-phenylacetic acid; 2-phenylethanamine CAS Name: 4-ethoxybenzaldehyde; 2-phenylacetic acid; 2-phenylethanamine IUPAC Name: 4-ethoxybenzaldehyde; 2-phenylacetic acid; 2-phenylethanamine Traditional Name: 4-ethoxybenzaldehyde; phenethylamine; 2-phenylacetic acid Formula: C25H29NO4 MolecularWeight: 407.50206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C9H10O2.C8H11N.C8H8O2/c1-2-11-9-5-3-8(7-10)4-6-9;9-7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7/h3-7H,2H2,1H3;1-5H,6-7,9H2;1-5H,6H2,(H,9,10)