diethyl 2-[(5-cyclohexyl-2-ethoxycarbonyl-5-oxidanyl-hexanoyl)amino]non-4-ynedioate

Systemtic Name: diethyl 2-[(5-cyclohexyl-2-ethoxycarbonyl-5-oxidanyl-hexanoyl)amino]non-4-ynedioate Openeye Name: diethyl 2-[(5-cyclohexyl-2-ethoxycarbonyl-5-hydroxy-hexanoyl)amino]non-4-ynedioate CAS Name: 2-[(5-cyclohexyl-2-ethoxycarbonyl-5-hydroxy-1-oxohexyl)amino]-4-nonynedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-cyclohexyl-2-ethoxycarbonyl-5-hydroxyhexanoyl)amino]non-4-ynedioate Traditional Name: 2-[(2-carbethoxy-5-cyclohexyl-5-hydroxy-hexanoyl)amino]non-4-ynedioic acid diethyl ester Formula: C28H45NO8 MolecularWeight: 523.6588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC#CCC(C(=O)OCC)NC(=O)C(CCC(C)(C1CCCCC1)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCCC#CCC(C(=O)OCC)NC(=O)C(CCC(C)(C1CCCCC1)O)C(=O)OCC

InChI

InChI=1S/C28H45NO8/c1-5-35-24(30)18-14-9-8-13-17-23(27(33)37-7-3)29-25(31)22(26(32)36-6-2)19-20-28(4,34)21-15-11-10-12-16-21/h21-23,34H,5-7,9-12,14-20H2,1-4H3,(H,29,31)