3-(4-tert-butylphenyl)-5-[(cyclopropylamino)methyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(cyclopropylamino)methyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5-[(cyclopropylamino)methyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-5-[(cyclopropylamino)methyl]-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-[(cyclopropylamino)methyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-[(cyclopropylamino)methyl]-1-m-anisyl-indole-2-carboxylic acid Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)CNC4CC4)CC5=CC(=CC=C5)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)CNC4CC4)CC5=CC(=CC=C5)OC)C(=O)O

InChI

InChI=1S/C31H34N2O3/c1-31(2,3)23-11-9-22(10-12-23)28-26-17-20(18-32-24-13-14-24)8-15-27(26)33(29(28)30(34)35)19-21-6-5-7-25(16-21)36-4/h5-12,15-17,24,32H,13-14,18-19H2,1-4H3,(H,34,35)