5-[6-chloranyl-3-(2-methylpropyl)indol-1-yl]furan-2-carboxylic acid

Systemtic Name: 5-[6-chloranyl-3-(2-methylpropyl)indol-1-yl]furan-2-carboxylic acid Openeye Name: 5-(6-chloro-3-isobutyl-indol-1-yl)furan-2-carboxylic acid CAS Name: 5-[6-chloro-3-(2-methylpropyl)-1-indolyl]-2-furancarboxylic acid IUPAC Name: 5-[6-chloro-3-(2-methylpropyl)indol-1-yl]furan-2-carboxylic acid Traditional Name: 5-(6-chloro-3-isobutyl-indol-1-yl)-2-furoic acid Formula: C17H16ClNO3 MolecularWeight: 317.76684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)C3=CC=C(O3)C(=O)O

Isomeric SMILES

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)C3=CC=C(O3)C(=O)O

InChI

InChI=1S/C17H16ClNO3/c1-10(2)7-11-9-19(14-8-12(18)3-4-13(11)14)16-6-5-15(22-16)17(20)21/h3-6,8-10H,7H2,1-2H3,(H,20,21)