3-phenyl-3H-1-benzofuran-2-one; 2-phenylethanamine

Systemtic Name: 3-phenyl-3H-1-benzofuran-2-one; 2-phenylethanamine Openeye Name: 3-phenyl-3H-benzofuran-2-one; 2-phenylethanamine CAS Name: 3-phenyl-3H-benzofuran-2-one; 2-phenylethanamine IUPAC Name: 3-phenyl-3H-1-benzofuran-2-one; 2-phenylethanamine Traditional Name: phenethylamine; 3-phenylcoumaran-2-one Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)C2C3=CC=CC=C3OC2=O

Isomeric SMILES

C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)C2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C14H10O2.C8H11N/c15-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14;9-7-6-8-4-2-1-3-5-8/h1-9,13H;1-5H,6-7,9H2