1-phenyl-3-[[3-[2-(4-propan-2-ylphenyl)ethanoyl]-1,3-diazinan-1-yl]methyl]indole-5-carboxylic acid

Systemtic Name: 1-phenyl-3-[[3-[2-(4-propan-2-ylphenyl)ethanoyl]-1,3-diazinan-1-yl]methyl]indole-5-carboxylic acid Openeye Name: 3-[[3-[2-(4-isopropylphenyl)acetyl]hexahydropyrimidin-1-yl]methyl]-1-phenyl-indole-5-carboxylic acid CAS Name: 3-[[3-[1-oxo-2-(4-propan-2-ylphenyl)ethyl]-1,3-diazinan-1-yl]methyl]-1-phenyl-5-indolecarboxylic acid IUPAC Name: 1-phenyl-3-[[3-[2-(4-propan-2-ylphenyl)acetyl]-1,3-diazinan-1-yl]methyl]indole-5-carboxylic acid Traditional Name: 3-[[3-(2-p-cumenylacetyl)hexahydropyrimidin-1-yl]methyl]-1-phenyl-indole-5-carboxylic acid Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC(=O)N2CCCN(C2)CC3=CN(C4=C3C=C(C=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC(=O)N2CCCN(C2)CC3=CN(C4=C3C=C(C=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O3/c1-22(2)24-11-9-23(10-12-24)17-30(35)33-16-6-15-32(21-33)19-26-20-34(27-7-4-3-5-8-27)29-14-13-25(31(36)37)18-28(26)29/h3-5,7-14,18,20,22H,6,15-17,19,21H2,1-2H3,(H,36,37)