2-[(5S,6R)-6-butyl-5-prop-2-ynyl-cyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole

Systemtic Name: 2-[(5S,6R)-6-butyl-5-prop-2-ynyl-cyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole Openeye Name: 2-[(5S,6R)-6-butyl-5-prop-2-ynyl-cyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-oxazole CAS Name: 2-[(5S,6R)-6-butyl-5-prop-2-ynyl-1-cyclohexa-1,3-dienyl]-4,4-dimethyl-5H-oxazole IUPAC Name: 2-[(5S,6R)-6-butyl-5-prop-2-ynylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole Traditional Name: 2-[(5S,6R)-6-butyl-5-propargyl-cyclohexa-1,3-dien-1-yl]-4,4-dimethyl-2-oxazoline Formula: C18H25NO MolecularWeight: 271.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C=CC=C1C2=NC(CO2)(C)C)CC#C

Isomeric SMILES

CCCC[C@@H]1[C@H](C=CC=C1C2=NC(CO2)(C)C)CC#C

InChI

InChI=1S/C18H25NO/c1-5-7-11-15-14(9-6-2)10-8-12-16(15)17-19-18(3,4)13-20-17/h2,8,10,12,14-15H,5,7,9,11,13H2,1,3-4H3/t14-,15+/m0/s1