2-chloroethyl 4-azanyl-3-bromanyl-5-ethyl-benzoate; N-methylcyclohexanamine

Systemtic Name: 2-chloroethyl 4-azanyl-3-bromanyl-5-ethyl-benzoate; N-methylcyclohexanamine Openeye Name: 2-chloroethyl 4-amino-3-bromo-5-ethyl-benzoate; N-methylcyclohexanamine CAS Name: 4-amino-3-bromo-5-ethylbenzoic acid 2-chloroethyl ester; N-methylcyclohexanamine IUPAC Name: 2-chloroethyl 4-amino-3-bromo-5-ethylbenzoate; N-methylcyclohexanamine Traditional Name: 4-amino-3-bromo-5-ethyl-benzoic acid 2-chloroethyl ester; cyclohexyl(methyl)amine Formula: C18H28BrClN2O2 MolecularWeight: 419.78412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C(=O)OCCCl)Br)N.CNC1CCCCC1

Isomeric SMILES

CCC1=C(C(=CC(=C1)C(=O)OCCCl)Br)N.CNC1CCCCC1

InChI

InChI=1S/C11H13BrClNO2.C7H15N/c1-2-7-5-8(6-9(12)10(7)14)11(15)16-4-3-13;1-8-7-5-3-2-4-6-7/h5-6H,2-4,14H2,1H3;7-8H,2-6H2,1H3