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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)-3-phenyl-indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)-3-phenyl-indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)-3-phenyl-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)-3-phenylindole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylmethoxy)-3-phenyl-indole-2-carboxylic acid Formula: C30H28ClNO5 MolecularWeight: 518.00002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC6=C(C=C5Cl)OCO6

Isomeric SMILES

C1CCC(CC1)COC2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC6=C(C=C5Cl)OCO6

InChI

InChI=1S/C30H28ClNO5/c31-24-15-27-26(36-18-37-27)13-21(24)16-32-25-12-11-22(35-17-19-7-3-1-4-8-19)14-23(25)28(29(32)30(33)34)20-9-5-2-6-10-20/h2,5-6,9-15,19H,1,3-4,7-8,16-18H2,(H,33,34)