1H-indole; (E)-3-phenylprop-2-enoic acid

Systemtic Name: 1H-indole; (E)-3-phenylprop-2-enoic acid Openeye Name: indole; (E)-3-phenylprop-2-enoic acid CAS Name: 1H-indole; (E)-3-phenyl-2-propenoic acid IUPAC Name: 1H-indole; (E)-3-phenylprop-2-enoic acid Traditional Name: indole; (E)-3-phenylacrylic acid Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)O.C1=CC=C2C(=C1)C=CN2

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)O.C1=CC=C2C(=C1)C=CN2

InChI

InChI=1S/C9H8O2.C8H7N/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-4-8-7(3-1)5-6-9-8/h1-7H,(H,10,11);1-6,9H/b7-6+;