5-[(4-tert-butylphenyl)methyl]-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid

Systemtic Name: 5-[(4-tert-butylphenyl)methyl]-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid Openeye Name: 5-[(4-tert-butylphenyl)methyl]-1-(4-isopropoxyphenyl)indole-2-carboxylic acid CAS Name: 5-[(4-tert-butylphenyl)methyl]-1-(4-propan-2-yloxyphenyl)-2-indolecarboxylic acid IUPAC Name: 5-[(4-tert-butylphenyl)methyl]-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid Traditional Name: 5-(4-tert-butylbenzyl)-1-(4-isopropoxyphenyl)indole-2-carboxylic acid Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)N2C3=C(C=C(C=C3)CC4=CC=C(C=C4)C(C)(C)C)C=C2C(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)N2C3=C(C=C(C=C3)CC4=CC=C(C=C4)C(C)(C)C)C=C2C(=O)O

InChI

InChI=1S/C29H31NO3/c1-19(2)33-25-13-11-24(12-14-25)30-26-15-8-21(17-22(26)18-27(30)28(31)32)16-20-6-9-23(10-7-20)29(3,4)5/h6-15,17-19H,16H2,1-5H3,(H,31,32)