3-(4-tert-butylphenyl)-1-[(2-methyl-5-morpholin-4-yl-phenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-[(2-methyl-5-morpholin-4-yl-phenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[(2-methyl-5-morpholino-phenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[2-methyl-5-(4-morpholinyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[(2-methyl-5-morpholin-4-ylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(2-methyl-5-morpholino-benzyl)indole-2-carboxylic acid Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCOCC2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCOCC2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=C(C=C5)C(C)(C)C

InChI

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