1-(3-phenoxyphenyl)prop-2-ynyl 3-butoxy-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: 1-(3-phenoxyphenyl)prop-2-ynyl 3-butoxy-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: 1-(3-phenoxyphenyl)prop-2-ynyl 3-butoxy-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 3-butoxy-2,2-dimethyl-1-cyclopropanecarboxylic acid 1-(3-phenoxyphenyl)prop-2-ynyl ester IUPAC Name: 1-(3-phenoxyphenyl)prop-2-ynyl 3-butoxy-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 3-butoxy-2,2-dimethyl-cyclopropanecarboxylic acid 1-(3-phenoxyphenyl)prop-2-ynyl ester Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C(C1(C)C)C(=O)OC(C#C)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCOC1C(C1(C)C)C(=O)OC(C#C)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H28O4/c1-5-7-16-27-23-22(25(23,3)4)24(26)29-21(6-2)18-12-11-15-20(17-18)28-19-13-9-8-10-14-19/h2,8-15,17,21-23H,5,7,16H2,1,3-4H3