2-[1-(4-chlorophenyl)carbonyl-2-methyl-5-(4-oxidanylidene-4-pentan-3-yloxy-butanoyl)oxy-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-2-methyl-5-(4-oxidanylidene-4-pentan-3-yloxy-butanoyl)oxy-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-chlorobenzoyl)-5-[4-(1-ethylpropoxy)-4-oxo-butanoyl]oxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-(1,4-dioxo-4-pentan-3-yloxybutoxy)-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-chlorobenzoyl)-2-methyl-5-(4-oxo-4-pentan-3-yloxybutanoyl)oxyindol-3-yl]acetic acid Traditional Name: 2-[1-(4-chlorobenzoyl)-5-[4-(1-ethylpropoxy)-4-keto-butanoyl]oxy-2-methyl-indol-3-yl]acetic acid Formula: C27H28ClNO7 MolecularWeight: 513.96672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)CCC(=O)OC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(CC)OC(=O)CCC(=O)OC1=CC2=C(C=C1)N(C(=C2CC(=O)O)C)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H28ClNO7/c1-4-19(5-2)35-25(32)12-13-26(33)36-20-10-11-23-22(14-20)21(15-24(30)31)16(3)29(23)27(34)17-6-8-18(28)9-7-17/h6-11,14,19H,4-5,12-13,15H2,1-3H3,(H,30,31)