3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)-5-phenylmethoxy-phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)-5-phenylmethoxy-phenyl]methyl]indole-2-carboxylic acid Openeye Name: 1-[[3-benzyloxy-5-(cyclopropylmethoxy)phenyl]methyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)-5-phenylmethoxyphenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)-5-phenylmethoxyphenyl]methyl]indole-2-carboxylic acid Traditional Name: 1-[3-benzoxy-5-(cyclopropylmethoxy)benzyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid Formula: C37H37NO4 MolecularWeight: 559.69398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC(=C4)OCC5CC5)OCC6=CC=CC=C6)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC(=C4)OCC5CC5)OCC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C37H37NO4/c1-37(2,3)29-17-15-28(16-18-29)34-32-11-7-8-12-33(32)38(35(34)36(39)40)22-27-19-30(41-23-25-9-5-4-6-10-25)21-31(20-27)42-24-26-13-14-26/h4-12,15-21,26H,13-14,22-24H2,1-3H3,(H,39,40)