N-[(2S)-1-[3-(4-methoxycyclohexyl)propylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyridin-3-ylcarbonyl-benzamide

Systemtic Name: N-[(2S)-1-[3-(4-methoxycyclohexyl)propylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyridin-3-ylcarbonyl-benzamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[3-(4-methoxycyclohexyl)propylamino]-2-oxo-ethyl]-4-(pyridine-3-carbonyl)benzamide CAS Name: N-[(2S)-3-hydroxy-1-[3-(4-methoxycyclohexyl)propylamino]-1-oxopropan-2-yl]-4-[oxo(3-pyridinyl)methyl]benzamide IUPAC Name: N-[(2S)-3-hydroxy-1-[3-(4-methoxycyclohexyl)propylamino]-1-oxopropan-2-yl]-4-(pyridine-3-carbonyl)benzamide Traditional Name: N-[(1S)-2-keto-2-[3-(4-methoxycyclohexyl)propylamino]-1-methylol-ethyl]-4-nicotinoyl-benzamide Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)CCCNC(=O)C(CO)NC(=O)C2=CC=C(C=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

COC1CCC(CC1)CCCNC(=O)[C@H](CO)NC(=O)C2=CC=C(C=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C26H33N3O5/c1-34-22-12-6-18(7-13-22)4-2-15-28-26(33)23(17-30)29-25(32)20-10-8-19(9-11-20)24(31)21-5-3-14-27-16-21/h3,5,8-11,14,16,18,22-23,30H,2,4,6-7,12-13,15,17H2,1H3,(H,28,33)(H,29,32)/t18?,22?,23-/m0/s1