4-phenoxybenzaldehyde; 2-phenylethanoic acid; phenylmethanamine

Systemtic Name: 4-phenoxybenzaldehyde; 2-phenylethanoic acid; phenylmethanamine Openeye Name: 4-phenoxybenzaldehyde; 2-phenylacetic acid; phenylmethanamine CAS Name: 4-phenoxybenzaldehyde; 2-phenylacetic acid; phenylmethanamine IUPAC Name: 4-phenoxybenzaldehyde; 2-phenylacetic acid; phenylmethanamine Traditional Name: benzylamine; 4-phenoxybenzaldehyde; 2-phenylacetic acid Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CN.C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CN.C1=CC=C(C=C1)OC2=CC=C(C=C2)C=O

InChI

InChI=1S/C13H10O2.C8H8O2.C7H9N/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12;9-8(10)6-7-4-2-1-3-5-7;8-6-7-4-2-1-3-5-7/h1-10H;1-5H,6H2,(H,9,10);1-5H,6,8H2