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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-4-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-4-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-4-(cyclopropylmethoxy)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-4-(cyclopropylmethoxy)-1-m-anisyl-indole-2-carboxylic acid Formula: C31H33NO4 MolecularWeight: 483.59802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C(=CC=C3)OCC4CC4)CC5=CC(=CC=C5)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C(=CC=C3)OCC4CC4)CC5=CC(=CC=C5)OC)C(=O)O

InChI

InChI=1S/C31H33NO4/c1-31(2,3)23-15-13-22(14-16-23)27-28-25(9-6-10-26(28)36-19-20-11-12-20)32(29(27)30(33)34)18-21-7-5-8-24(17-21)35-4/h5-10,13-17,20H,11-12,18-19H2,1-4H3,(H,33,34)