1-[(2R)-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]-1-oxidanyl-butan-2-yl]imidazole-4-carboxamide

Systemtic Name: 1-[(2R)-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]-1-oxidanyl-butan-2-yl]imidazole-4-carboxamide Openeye Name: 1-[(1R)-1-(hydroxymethyl)-3-[6-[4-(p-tolyl)butanoylamino]indol-1-yl]propyl]imidazole-4-carboxamide CAS Name: 1-[(2R)-1-hydroxy-4-[6-[[4-(4-methylphenyl)-1-oxobutyl]amino]-1-indolyl]butan-2-yl]-4-imidazolecarboxamide IUPAC Name: 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide Traditional Name: 1-[(1R)-1-methylol-3-[6-[4-(p-tolyl)butanoylamino]indol-1-yl]propyl]imidazole-4-carboxamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCC(=O)NC2=CC3=C(C=C2)C=CN3CCC(CO)N4C=C(N=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CCCC(=O)NC2=CC3=C(C=C2)C=CN3CC[C@H](CO)N4C=C(N=C4)C(=O)N

InChI

InChI=1S/C27H31N5O3/c1-19-5-7-20(8-6-19)3-2-4-26(34)30-22-10-9-21-11-13-31(25(21)15-22)14-12-23(17-33)32-16-24(27(28)35)29-18-32/h5-11,13,15-16,18,23,33H,2-4,12,14,17H2,1H3,(H2,28,35)(H,30,34)/t23-/m1/s1