2-[1-[(3-chloranyl-2-methyl-1H-indol-4-yl)oxy]-2-oxidanyl-3-(2-phenoxyethylamino)propyl]propanedioic acid

Systemtic Name: 2-[1-[(3-chloranyl-2-methyl-1H-indol-4-yl)oxy]-2-oxidanyl-3-(2-phenoxyethylamino)propyl]propanedioic acid Openeye Name: 2-[1-[(3-chloro-2-methyl-1H-indol-4-yl)oxy]-2-hydroxy-3-(2-phenoxyethylamino)propyl]propanedioic acid CAS Name: 2-[1-[(3-chloro-2-methyl-1H-indol-4-yl)oxy]-2-hydroxy-3-(2-phenoxyethylamino)propyl]propanedioic acid IUPAC Name: 2-[1-[(3-chloro-2-methyl-1H-indol-4-yl)oxy]-2-hydroxy-3-(2-phenoxyethylamino)propyl]propanedioic acid Traditional Name: 2-[1-[(3-chloro-2-methyl-1H-indol-4-yl)oxy]-2-hydroxy-3-(2-phenoxyethylamino)propyl]malonic acid Formula: C23H25ClN2O7 MolecularWeight: 476.9068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC=C2OC(C(CNCCOC3=CC=CC=C3)O)C(C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=C(C2=C(N1)C=CC=C2OC(C(CNCCOC3=CC=CC=C3)O)C(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C23H25ClN2O7/c1-13-20(24)18-15(26-13)8-5-9-17(18)33-21(19(22(28)29)23(30)31)16(27)12-25-10-11-32-14-6-3-2-4-7-14/h2-9,16,19,21,25-27H,10-12H2,1H3,(H,28,29)(H,30,31)