5-[(4-tert-butylphenyl)methoxy]-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid CAS Name: 5-[(4-tert-butylphenyl)methoxy]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-2-indolecarboxylic acid IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylindole-2-carboxylic acid Traditional Name: 5-(4-tert-butylbenzyl)oxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid Formula: C34H30ClNO5 MolecularWeight: 568.0587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC6=C(C=C5Cl)OCO6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC6=C(C=C5Cl)OCO6

InChI

InChI=1S/C34H30ClNO5/c1-34(2,3)24-11-9-21(10-12-24)19-39-25-13-14-28-26(16-25)31(22-7-5-4-6-8-22)32(33(37)38)36(28)18-23-15-29-30(17-27(23)35)41-20-40-29/h4-17H,18-20H2,1-3H3,(H,37,38)