2-[1-butyl-5-(3-chlorophenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-butyl-5-(3-chlorophenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-butyl-5-(3-chlorophenyl)indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[1-butyl-5-(3-chlorophenyl)-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[1-butyl-5-(3-chlorophenyl)indol-3-yl]-2-oxoacetic acid Traditional Name: 2-[1-butyl-5-(3-chlorophenyl)indol-3-yl]-2-keto-acetic acid Formula: C20H18ClNO3 MolecularWeight: 355.81482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=CC(=C2)C3=CC(=CC=C3)Cl)C(=O)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=C1C=CC(=C2)C3=CC(=CC=C3)Cl)C(=O)C(=O)O

InChI

InChI=1S/C20H18ClNO3/c1-2-3-9-22-12-17(19(23)20(24)25)16-11-14(7-8-18(16)22)13-5-4-6-15(21)10-13/h4-8,10-12H,2-3,9H2,1H3,(H,24,25)