[4-[4-ethoxycarbonyl-3,5-bis(oxidanylidene)hexyl]phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate

Systemtic Name: [4-[4-ethoxycarbonyl-3,5-bis(oxidanylidene)hexyl]phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate Openeye Name: [4-(4-ethoxycarbonyl-3,5-dioxo-hexyl)phenyl] 4-(aminomethyl)cyclohexanecarboxylate CAS Name: 4-(aminomethyl)-1-cyclohexanecarboxylic acid [4-(4-ethoxycarbonyl-3,5-dioxohexyl)phenyl] ester IUPAC Name: [4-(4-ethoxycarbonyl-3,5-dioxohexyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(aminomethyl)cyclohexanecarboxylic acid [4-(4-carbethoxy-3,5-diketo-hexyl)phenyl] ester Formula: C23H31NO6 MolecularWeight: 417.49534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)C(=O)CCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN

Isomeric SMILES

CCOC(=O)C(C(=O)C)C(=O)CCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN

InChI

InChI=1S/C23H31NO6/c1-3-29-23(28)21(15(2)25)20(26)13-8-16-6-11-19(12-7-16)30-22(27)18-9-4-17(14-24)5-10-18/h6-7,11-12,17-18,21H,3-5,8-10,13-14,24H2,1-2H3