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2-[4-(cyclopropylmethoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate

2-[4-(cyclopropylmethoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate

Systemtic Name:2-[4-(cyclopropylmethoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate
Openeye Name:2-[4-(cyclopropylmethoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate
CAS Name:3-(1-adamantyl)benzoic acid 2-[4-(cyclopropylmethoxy)phenyl]ethynyl ester
IUPAC Name:2-[4-(cyclopropylmethoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate
Traditional Name:3-(1-adamantyl)benzoic acid 2-[4-(cyclopropylmethoxy)phenyl]ethynyl ester
Formula: C29H30O3
MolecularWeight: 426.5467
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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=CC=C(C=C2)C#COC(=O)C3=CC(=CC=C3)C45CC6CC(C4)CC(C6)C5


Isomeric SMILES

C1CC1COC2=CC=C(C=C2)C#COC(=O)C3=CC(=CC=C3)C45CC6CC(C4)CC(C6)C5


InChI

InChI=1S/C29H30O3/c30-28(31-11-10-20-6-8-27(9-7-20)32-19-21-4-5-21)25-2-1-3-26(15-25)29-16-22-12-23(17-29)14-24(13-22)18-29/h1-3,6-9,15,21-24H,4-5,12-14,16-19H2


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