2-bromanylbenzaldehyde; 2-phenylethanoic acid; phenylmethanamine

Systemtic Name: 2-bromanylbenzaldehyde; 2-phenylethanoic acid; phenylmethanamine Openeye Name: 2-bromobenzaldehyde; 2-phenylacetic acid; phenylmethanamine CAS Name: 2-bromobenzaldehyde; 2-phenylacetic acid; phenylmethanamine IUPAC Name: 2-bromobenzaldehyde; 2-phenylacetic acid; phenylmethanamine Traditional Name: benzylamine; 2-bromobenzaldehyde; 2-phenylacetic acid Formula: C22H22BrNO3 MolecularWeight: 428.31898

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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)C=O)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CN.C1=CC=C(C(=C1)C=O)Br

InChI

InChI=1S/C8H8O2.C7H5BrO.C7H9N/c9-8(10)6-7-4-2-1-3-5-7;8-7-4-2-1-3-6(7)5-9;8-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10);1-5H;1-5H,6,8H2