N-butyl-N-[3-(4-methylphenyl)prop-1-ynyl]butan-1-amine

Systemtic Name: N-butyl-N-[3-(4-methylphenyl)prop-1-ynyl]butan-1-amine Openeye Name: N-butyl-N-[3-(p-tolyl)prop-1-ynyl]butan-1-amine CAS Name: N-butyl-N-[3-(4-methylphenyl)prop-1-ynyl]-1-butanamine IUPAC Name: N-butyl-N-[3-(4-methylphenyl)prop-1-ynyl]butan-1-amine Traditional Name: dibutyl-[3-(p-tolyl)prop-1-ynyl]amine Formula: C18H27N MolecularWeight: 257.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C#CCC1=CC=C(C=C1)C

Isomeric SMILES

CCCCN(CCCC)C#CCC1=CC=C(C=C1)C

InChI

InChI=1S/C18H27N/c1-4-6-14-19(15-7-5-2)16-8-9-18-12-10-17(3)11-13-18/h10-13H,4-7,9,14-15H2,1-3H3