methyl 2-[2-(4-tert-butylpyridin-2-yl)carbonyl-5-chloranyl-1H-indol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-tert-butylpyridin-2-yl)carbonyl-5-chloranyl-1H-indol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-tert-butylpyridine-2-carbonyl)-5-chloro-1H-indol-3-yl]acetate CAS Name: 2-[2-[(4-tert-butyl-2-pyridinyl)-oxomethyl]-5-chloro-1H-indol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-tert-butylpyridine-2-carbonyl)-5-chloro-1H-indol-3-yl]acetate Traditional Name: 2-[2-(4-tert-butylpicolinoyl)-5-chloro-1H-indol-3-yl]acetic acid methyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC=C1)C(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)CC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=NC=C1)C(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)CC(=O)OC

InChI

InChI=1S/C21H21ClN2O3/c1-21(2,3)12-7-8-23-17(9-12)20(26)19-15(11-18(25)27-4)14-10-13(22)5-6-16(14)24-19/h5-10,24H,11H2,1-4H3