2-(ethylamino)ethyl 1-phenylcyclohexane-1-carboxylate; sulfuric acid

Systemtic Name: 2-(ethylamino)ethyl 1-phenylcyclohexane-1-carboxylate; sulfuric acid Openeye Name: 2-(ethylamino)ethyl 1-phenylcyclohexanecarboxylate; sulfuric acid CAS Name: 1-phenyl-1-cyclohexanecarboxylic acid 2-(ethylamino)ethyl ester; sulfuric acid IUPAC Name: 2-(ethylamino)ethyl 1-phenylcyclohexane-1-carboxylate; sulfuric acid Traditional Name: 1-phenylcyclohexanecarboxylic acid 2-(ethylamino)ethyl ester; sulfuric acid Formula: C34H52N2O8S MolecularWeight: 648.85028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCCOC(=O)C1(CCCCC1)C2=CC=CC=C2.CCNCCOC(=O)C1(CCCCC1)C2=CC=CC=C2.OS(=O)(=O)O

Isomeric SMILES

CCNCCOC(=O)C1(CCCCC1)C2=CC=CC=C2.CCNCCOC(=O)C1(CCCCC1)C2=CC=CC=C2.OS(=O)(=O)O

InChI

InChI=1S/2C17H25NO2.H2O4S/c2*1-2-18-13-14-20-16(19)17(11-7-4-8-12-17)15-9-5-3-6-10-15;1-5(2,3)4/h2*3,5-6,9-10,18H,2,4,7-8,11-14H2,1H3;(H2,1,2,3,4)