5-cyano-2-[[2-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]phenyl]carbamoyl]-4-ethoxycarbonyl-2-ethyl-piperidine-1-carboxylic acid

Systemtic Name: 5-cyano-2-[[2-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]amino]phenyl]carbamoyl]-4-ethoxycarbonyl-2-ethyl-piperidine-1-carboxylic acid Openeye Name: 5-cyano-2-[[2-[[2-(cyclohexylamino)-2-oxo-ethyl]amino]phenyl]carbamoyl]-4-ethoxycarbonyl-2-ethyl-piperidine-1-carboxylic acid CAS Name: 5-cyano-2-[[2-[[2-(cyclohexylamino)-2-oxoethyl]amino]anilino]-oxomethyl]-4-ethoxycarbonyl-2-ethyl-1-piperidinecarboxylic acid IUPAC Name: 5-cyano-2-[[2-[[2-(cyclohexylamino)-2-oxoethyl]amino]phenyl]carbamoyl]-4-ethoxycarbonyl-2-ethylpiperidine-1-carboxylic acid Traditional Name: 4-carbethoxy-5-cyano-2-[[2-[[2-(cyclohexylamino)-2-keto-ethyl]amino]phenyl]carbamoyl]-2-ethyl-piperidine-1-carboxylic acid Formula: C27H37N5O6 MolecularWeight: 527.61258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C(CN1C(=O)O)C#N)C(=O)OCC)C(=O)NC2=CC=CC=C2NCC(=O)NC3CCCCC3

Isomeric SMILES

CCC1(CC(C(CN1C(=O)O)C#N)C(=O)OCC)C(=O)NC2=CC=CC=C2NCC(=O)NC3CCCCC3

InChI

InChI=1S/C27H37N5O6/c1-3-27(14-20(24(34)38-4-2)18(15-28)17-32(27)26(36)37)25(35)31-22-13-9-8-12-21(22)29-16-23(33)30-19-10-6-5-7-11-19/h8-9,12-13,18-20,29H,3-7,10-11,14,16-17H2,1-2H3,(H,30,33)(H,31,35)(H,36,37)