[3-[(2S)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-hexyl-N-methyl-carbamate

Systemtic Name: [3-[(2S)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-hexyl-N-methyl-carbamate Openeye Name: [3-[(2S)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-hexyl-N-methyl-carbamate CAS Name: N-hexyl-N-methylcarbamic acid [3-[(2S)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] ester IUPAC Name: [3-[(2S)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-hexyl-N-methylcarbamate Traditional Name: N-hexyl-N-methyl-carbamic acid [3-[(2S)-2-[methyl(propargyl)amino]propyl]phenyl] ester Formula: C21H32N2O2 MolecularWeight: 344.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)C(=O)OC1=CC=CC(=C1)CC(C)N(C)CC#C

Isomeric SMILES

CCCCCCN(C)C(=O)OC1=CC=CC(=C1)C[C@H](C)N(C)CC#C

InChI

InChI=1S/C21H32N2O2/c1-6-8-9-10-15-23(5)21(24)25-20-13-11-12-19(17-20)16-18(3)22(4)14-7-2/h2,11-13,17-18H,6,8-10,14-16H2,1,3-5H3/t18-/m0/s1