[2-ethoxycarbonyl-1-ethynyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)butyl]cyclopentyl] benzoate

Systemtic Name: [2-ethoxycarbonyl-1-ethynyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)butyl]cyclopentyl] benzoate Openeye Name: [2-ethoxycarbonyl-1-ethynyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)butyl]cyclopentyl] benzoate CAS Name: benzoic acid [2-ethoxycarbonyl-1-ethynyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)butyl]cyclopentyl] ester IUPAC Name: [2-ethoxycarbonyl-1-ethynyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)butyl]cyclopentyl] benzoate Traditional Name: benzoic acid [2-carbethoxy-1-ethynyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)butyl]cyclopentyl] ester Formula: C25H32O6 MolecularWeight: 428.51798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1(C#C)OC(=O)C2=CC=CC=C2)CCC(C)C3(OCCO3)C

Isomeric SMILES

CCOC(=O)C1(CCCC1(C#C)OC(=O)C2=CC=CC=C2)CCC(C)C3(OCCO3)C

InChI

InChI=1S/C25H32O6/c1-5-25(31-21(26)20-11-8-7-9-12-20)15-10-14-24(25,22(27)28-6-2)16-13-19(3)23(4)29-17-18-30-23/h1,7-9,11-12,19H,6,10,13-18H2,2-4H3