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

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)-5-(2-methoxyethoxy)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)-5-(2-methoxyethoxy)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)-5-(2-methoxyethoxy)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)-5-(2-methoxyethoxy)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(cyclopropylmethoxy)-5-(2-methoxyethoxy)benzyl]indole-2-carboxylic acid Formula: C33H37NO5 MolecularWeight: 527.65058

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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)OCCOC)OCC5CC5)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C33H37NO5/c1-33(2,3)25-13-11-24(12-14-25)30-28-7-5-6-8-29(28)34(31(30)32(35)36)20-23-17-26(38-16-15-37-4)19-27(18-23)39-21-22-9-10-22/h5-8,11-14,17-19,22H,9-10,15-16,20-21H2,1-4H3,(H,35,36)