tert-butyl 3-[4-(7-phenylhept-2-ynoxymethyl)phenyl]propanoate

Systemtic Name: tert-butyl 3-[4-(7-phenylhept-2-ynoxymethyl)phenyl]propanoate Openeye Name: tert-butyl 3-[4-(7-phenylhept-2-ynoxymethyl)phenyl]propanoate CAS Name: 3-[4-(7-phenylhept-2-ynoxymethyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(7-phenylhept-2-ynoxymethyl)phenyl]propanoate Traditional Name: 3-[4-(7-phenylhept-2-ynoxymethyl)phenyl]propionic acid tert-butyl ester Formula: C27H34O3 MolecularWeight: 406.55706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)COCC#CCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)COCC#CCCCCC2=CC=CC=C2

InChI

InChI=1S/C27H34O3/c1-27(2,3)30-26(28)20-19-24-15-17-25(18-16-24)22-29-21-11-6-4-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-18H,4-5,8,12,19-22H2,1-3H3