(2S)-2-[(2R)-7-(5-chloranyl-3-methyl-indol-1-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid

Systemtic Name: (2S)-2-[(2R)-7-(5-chloranyl-3-methyl-indol-1-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-7-(5-chloro-3-methyl-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-7-(5-chloro-3-methyl-1-indolyl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-7-(5-chloro-3-methylindol-1-yl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-7-(5-chloro-3-methyl-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-succinic acid Formula: C20H26ClNO6 MolecularWeight: 411.87654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=C(C=C2)Cl)CCCCCC(CC(CC(=O)O)(C(=O)O)O)O

Isomeric SMILES

CC1=CN(C2=C1C=C(C=C2)Cl)CCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O

InChI

InChI=1S/C20H26ClNO6/c1-13-12-22(17-7-6-14(21)9-16(13)17)8-4-2-3-5-15(23)10-20(28,19(26)27)11-18(24)25/h6-7,9,12,15,23,28H,2-5,8,10-11H2,1H3,(H,24,25)(H,26,27)/t15-,20+/m1/s1