5-chloranyl-3-[[[2-(3-hydroxyphenyl)-2-oxidanyl-cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[[[2-(3-hydroxyphenyl)-2-oxidanyl-cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[[[2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[[[2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[[[2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[[[2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylic acid Formula: C23H25ClN2O4 MolecularWeight: 428.9086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CNCC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)(C4=CC(=CC=C4)O)O

Isomeric SMILES

C1CCC(C(C1)CNCC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)(C4=CC(=CC=C4)O)O

InChI

InChI=1S/C23H25ClN2O4/c24-16-7-8-20-18(11-16)19(21(26-20)22(28)29)13-25-12-15-4-1-2-9-23(15,30)14-5-3-6-17(27)10-14/h3,5-8,10-11,15,25-27,30H,1-2,4,9,12-13H2,(H,28,29)