4-[2-[1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxyethanoyloxymethyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[2-[1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxyethanoyloxymethyl]piperidine-1-carboxylic acid Openeye Name: 4-[[2-[[1-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl]oxy]acetyl]oxymethyl]piperidine-1-carboxylic acid CAS Name: 4-[[2-[[1-[4-(4-cyanophenyl)-2-methyl-1,4-dioxobutyl]-4-piperidinyl]oxy]-1-oxoethoxy]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-[1-[4-(4-cyanophenyl)-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetyl]oxymethyl]piperidine-1-carboxylic acid Traditional Name: 4-[[2-[[1-[4-(4-cyanophenyl)-4-keto-2-methyl-butanoyl]-4-piperidyl]oxy]acetyl]oxymethyl]piperidine-1-carboxylic acid Formula: C26H33N3O7 MolecularWeight: 499.55612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CCC(CC2)OCC(=O)OCC3CCN(CC3)C(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CCC(CC2)OCC(=O)OCC3CCN(CC3)C(=O)O

InChI

InChI=1S/C26H33N3O7/c1-18(14-23(30)21-4-2-19(15-27)3-5-21)25(32)28-12-8-22(9-13-28)35-17-24(31)36-16-20-6-10-29(11-7-20)26(33)34/h2-5,18,20,22H,6-14,16-17H2,1H3,(H,33,34)