[4-(dimethylamino)-3-hexyl-phenyl] N-methylcarbamate; iodanylmethane

Systemtic Name: [4-(dimethylamino)-3-hexyl-phenyl] N-methylcarbamate; iodanylmethane Openeye Name: [4-(dimethylamino)-3-hexyl-phenyl] N-methylcarbamate; iodomethane CAS Name: iodomethane; N-methylcarbamic acid [4-(dimethylamino)-3-hexylphenyl] ester IUPAC Name: [4-(dimethylamino)-3-hexylphenyl] N-methylcarbamate; iodomethane Traditional Name: iodomethane; N-methylcarbamic acid [4-(dimethylamino)-3-hexyl-phenyl] ester Formula: C17H29IN2O2 MolecularWeight: 420.32883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)OC(=O)NC)N(C)C.CI

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)OC(=O)NC)N(C)C.CI

InChI

InChI=1S/C16H26N2O2.CH3I/c1-5-6-7-8-9-13-12-14(20-16(19)17-2)10-11-15(13)18(3)4;1-2/h10-12H,5-9H2,1-4H3,(H,17,19);1H3