1-[(2R)-4-[6-[3-(4-methylphenyl)propanoylamino]indol-1-yl]-1-oxidanyl-butan-2-yl]imidazole-4-carboxamide

Systemtic Name: 1-[(2R)-4-[6-[3-(4-methylphenyl)propanoylamino]indol-1-yl]-1-oxidanyl-butan-2-yl]imidazole-4-carboxamide Openeye Name: 1-[(1R)-1-(hydroxymethyl)-3-[6-[3-(p-tolyl)propanoylamino]indol-1-yl]propyl]imidazole-4-carboxamide CAS Name: 1-[(2R)-1-hydroxy-4-[6-[[3-(4-methylphenyl)-1-oxopropyl]amino]-1-indolyl]butan-2-yl]-4-imidazolecarboxamide IUPAC Name: 1-[(2R)-1-hydroxy-4-[6-[3-(4-methylphenyl)propanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide Traditional Name: 1-[(1R)-1-methylol-3-[6-[3-(p-tolyl)propanoylamino]indol-1-yl]propyl]imidazole-4-carboxamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c1-18-2-4-19(5-3-18)6-9-25(33)29-21-8-7-20-10-12-30(24(20)14-21)13-11-22(16-32)31-15-23(26(27)34)28-17-31/h2-5,7-8,10,12,14-15,17,22,32H,6,9,11,13,16H2,1H3,(H2,27,34)(H,29,33)/t22-/m1/s1