2-[6-chloranyl-1-ethoxycarbonyl-2-(1-methylimidazol-2-yl)carbonyl-2,3-dihydroindol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-1-ethoxycarbonyl-2-(1-methylimidazol-2-yl)carbonyl-2,3-dihydroindol-3-yl]ethanoic acid Openeye Name: 2-[6-chloro-1-ethoxycarbonyl-2-(1-methylimidazole-2-carbonyl)indolin-3-yl]acetic acid CAS Name: 2-[6-chloro-1-ethoxycarbonyl-2-[(1-methyl-2-imidazolyl)-oxomethyl]-2,3-dihydroindol-3-yl]acetic acid IUPAC Name: 2-[6-chloro-1-ethoxycarbonyl-2-(1-methylimidazole-2-carbonyl)-2,3-dihydroindol-3-yl]acetic acid Traditional Name: 2-[1-carbethoxy-6-chloro-2-(1-methylimidazole-2-carbonyl)indolin-3-yl]acetic acid Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(C2=C1C=C(C=C2)Cl)CC(=O)O)C(=O)C3=NC=CN3C

Isomeric SMILES

CCOC(=O)N1C(C(C2=C1C=C(C=C2)Cl)CC(=O)O)C(=O)C3=NC=CN3C

InChI

InChI=1S/C18H18ClN3O5/c1-3-27-18(26)22-13-8-10(19)4-5-11(13)12(9-14(23)24)15(22)16(25)17-20-6-7-21(17)2/h4-8,12,15H,3,9H2,1-2H3,(H,23,24)