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

Systemtic Name: (2S)-2-[(2R)-7-(5-chloranyl-2-methyl-indol-1-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid Openeye Name: (2S)-2-[(2R)-7-(5-chloro-2-methyl-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-butanedioic acid CAS Name: (2S)-2-[(2R)-7-(5-chloro-2-methyl-1-indolyl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid IUPAC Name: (2S)-2-[(2R)-7-(5-chloro-2-methylindol-1-yl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid Traditional Name: (2S)-2-[(2R)-7-(5-chloro-2-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=CC2=C(N1CCCCCC(CC(CC(=O)O)(C(=O)O)O)O)C=CC(=C2)Cl

Isomeric SMILES

CC1=CC2=C(N1CCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O)C=CC(=C2)Cl

InChI

InChI=1S/C20H26ClNO6/c1-13-9-14-10-15(21)6-7-17(14)22(13)8-4-2-3-5-16(23)11-20(28,19(26)27)12-18(24)25/h6-7,9-10,16,23,28H,2-5,8,11-12H2,1H3,(H,24,25)(H,26,27)/t16-,20+/m1/s1