5,8a-dihydro-1H-quinolin-8-one; 4-(chloromethyl)benzoic acid

Systemtic Name: 5,8a-dihydro-1H-quinolin-8-one; 4-(chloromethyl)benzoic acid Openeye Name: 5,8a-dihydro-1H-quinolin-8-one; 4-(chloromethyl)benzoic acid CAS Name: 5,8a-dihydro-1H-quinolin-8-one; 4-(chloromethyl)benzoic acid IUPAC Name: 5,8a-dihydro-1H-quinolin-8-one; 4-(chloromethyl)benzoic acid Traditional Name: 5,8a-dihydro-1H-quinolin-8-one; 4-(chloromethyl)benzoic acid Formula: C17H16ClNO3 MolecularWeight: 317.76684

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=O)C2C1=CC=CN2.C1=CC(=CC=C1CCl)C(=O)O

Isomeric SMILES

C1C=CC(=O)C2C1=CC=CN2.C1=CC(=CC=C1CCl)C(=O)O

InChI

InChI=1S/C9H9NO.C8H7ClO2/c11-8-5-1-3-7-4-2-6-10-9(7)8;9-5-6-1-3-7(4-2-6)8(10)11/h1-2,4-6,9-10H,3H2;1-4H,5H2,(H,10,11)