4-[[6-aminocarbonyl-3-(2-methylpropanoyl)-2-propyl-indol-1-yl]methyl]-3-chloranyl-benzoic acid

Systemtic Name: 4-[[6-aminocarbonyl-3-(2-methylpropanoyl)-2-propyl-indol-1-yl]methyl]-3-chloranyl-benzoic acid Openeye Name: 4-[[6-carbamoyl-3-(2-methylpropanoyl)-2-propyl-indol-1-yl]methyl]-3-chloro-benzoic acid CAS Name: 4-[[6-carbamoyl-3-(2-methyl-1-oxopropyl)-2-propyl-1-indolyl]methyl]-3-chlorobenzoic acid IUPAC Name: 4-[[6-carbamoyl-3-(2-methylpropanoyl)-2-propylindol-1-yl]methyl]-3-chlorobenzoic acid Traditional Name: 4-[(6-carbamoyl-3-isobutyryl-2-propyl-indol-1-yl)methyl]-3-chloro-benzoic acid Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=C(C=C(C=C3)C(=O)O)Cl)C=C(C=C2)C(=O)N)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=C(C=C(C=C3)C(=O)O)Cl)C=C(C=C2)C(=O)N)C(=O)C(C)C

InChI

InChI=1S/C24H25ClN2O4/c1-4-5-19-21(22(28)13(2)3)17-9-8-14(23(26)29)11-20(17)27(19)12-16-7-6-15(24(30)31)10-18(16)25/h6-11,13H,4-5,12H2,1-3H3,(H2,26,29)(H,30,31)