2-[1-(4-tert-butylpyridin-2-yl)carbonyl-6-chloranyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-tert-butylpyridin-2-yl)carbonyl-6-chloranyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-tert-butylpyridine-2-carbonyl)-6-chloro-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-tert-butyl-2-pyridinyl)-oxomethyl]-6-chloro-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-tert-butylpyridine-2-carbonyl)-6-chloroindol-3-yl]acetic acid Traditional Name: 2-[1-(4-tert-butylpicolinoyl)-6-chloro-indol-3-yl]acetic acid Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC=C1)C(=O)N2C=C(C3=C2C=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=NC=C1)C(=O)N2C=C(C3=C2C=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C20H19ClN2O3/c1-20(2,3)13-6-7-22-16(9-13)19(26)23-11-12(8-18(24)25)15-5-4-14(21)10-17(15)23/h4-7,9-11H,8H2,1-3H3,(H,24,25)