[4-(2-methylbutoxy)phenyl] 4-prop-1-ynylbenzoate

Systemtic Name: [4-(2-methylbutoxy)phenyl] 4-prop-1-ynylbenzoate Openeye Name: [4-(2-methylbutoxy)phenyl] 4-prop-1-ynylbenzoate CAS Name: 4-prop-1-ynylbenzoic acid [4-(2-methylbutoxy)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)phenyl] 4-prop-1-ynylbenzoate Traditional Name: 4-prop-1-ynylbenzoic acid [4-(2-methylbutoxy)phenyl] ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C#CC

Isomeric SMILES

CCC(C)COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C#CC

InChI

InChI=1S/C21H22O3/c1-4-6-17-7-9-18(10-8-17)21(22)24-20-13-11-19(12-14-20)23-15-16(3)5-2/h7-14,16H,5,15H2,1-3H3