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

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(cyclopropylmethoxy)benzyl]indole-2-carboxylic acid Formula: C30H31NO3 MolecularWeight: 453.57204

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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)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)C(=O)O

InChI

InChI=1S/C30H31NO3/c1-30(2,3)23-15-13-22(14-16-23)27-25-9-4-5-10-26(25)31(28(27)29(32)33)18-21-7-6-8-24(17-21)34-19-20-11-12-20/h4-10,13-17,20H,11-12,18-19H2,1-3H3,(H,32,33)