1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)indole-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)indole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)indole-2-carboxylic acid Formula: C24H24ClNO5 MolecularWeight: 441.90406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CCC(CC1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C24H24ClNO5/c25-19-11-23-22(30-14-31-23)10-17(19)12-26-20-7-6-18(8-16(20)9-21(26)24(27)28)29-13-15-4-2-1-3-5-15/h6-11,15H,1-5,12-14H2,(H,27,28)