diethyl 2-benzamido-2-[5-(2-ethoxycarbonyl-2-methyl-1,3-dioxan-5-yl)pentyl]propanedioate

Systemtic Name: diethyl 2-benzamido-2-[5-(2-ethoxycarbonyl-2-methyl-1,3-dioxan-5-yl)pentyl]propanedioate Openeye Name: diethyl 2-benzamido-2-[5-(2-ethoxycarbonyl-2-methyl-1,3-dioxan-5-yl)pentyl]propanedioate CAS Name: 2-benzamido-2-[5-(2-ethoxycarbonyl-2-methyl-1,3-dioxan-5-yl)pentyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzamido-2-[5-(2-ethoxycarbonyl-2-methyl-1,3-dioxan-5-yl)pentyl]propanedioate Traditional Name: 2-benzamido-2-[5-(2-carbethoxy-2-methyl-1,3-dioxan-5-yl)pentyl]malonic acid diethyl ester Formula: C27H39NO9 MolecularWeight: 521.59986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(OCC(CO1)CCCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1(OCC(CO1)CCCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C27H39NO9/c1-5-33-23(30)26(4)36-18-20(19-37-26)14-10-9-13-17-27(24(31)34-6-2,25(32)35-7-3)28-22(29)21-15-11-8-12-16-21/h8,11-12,15-16,20H,5-7,9-10,13-14,17-19H2,1-4H3,(H,28,29)