4-(1-decoxynaphthalen-2-yl)but-3-yn-2-yl propanoate

Systemtic Name: 4-(1-decoxynaphthalen-2-yl)but-3-yn-2-yl propanoate Openeye Name: [3-(1-decoxy-2-naphthyl)-1-methyl-prop-2-ynyl] propanoate CAS Name: propanoic acid 4-(1-decoxy-2-naphthalenyl)but-3-yn-2-yl ester IUPAC Name: 4-(1-decoxynaphthalen-2-yl)but-3-yn-2-yl propanoate Traditional Name: propionic acid [3-(1-decoxy-2-naphthyl)-1-methyl-prop-2-ynyl] ester Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CC2=CC=CC=C21)C#CC(C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CC2=CC=CC=C21)C#CC(C)OC(=O)CC

InChI

InChI=1S/C27H36O3/c1-4-6-7-8-9-10-11-14-21-29-27-24(18-17-22(3)30-26(28)5-2)20-19-23-15-12-13-16-25(23)27/h12-13,15-16,19-20,22H,4-11,14,21H2,1-3H3