3-(4-tert-butylphenyl)-1-[(3-morpholin-4-ylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-[(3-morpholin-4-ylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[(3-morpholinophenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(4-morpholinyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[(3-morpholin-4-ylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(3-morpholinobenzyl)indole-2-carboxylic acid Formula: C30H32N2O3 MolecularWeight: 468.58668

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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)N5CCOCC5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)N5CCOCC5)C(=O)O

InChI

InChI=1S/C30H32N2O3/c1-30(2,3)23-13-11-22(12-14-23)27-25-9-4-5-10-26(25)32(28(27)29(33)34)20-21-7-6-8-24(19-21)31-15-17-35-18-16-31/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)