(1-azanyl-4-cyclohexyl-3-oxidanylidene-butan-2-yl) 3-cyclohexylbenzoate hydrochloride

Systemtic Name: (1-azanyl-4-cyclohexyl-3-oxidanylidene-butan-2-yl) 3-cyclohexylbenzoate hydrochloride Openeye Name: [1-(aminomethyl)-3-cyclohexyl-2-oxo-propyl] 3-cyclohexylbenzoate hydrochloride CAS Name: 3-cyclohexylbenzoic acid (1-amino-4-cyclohexyl-3-oxobutan-2-yl) ester hydrochloride IUPAC Name: (1-amino-4-cyclohexyl-3-oxobutan-2-yl) 3-cyclohexylbenzoate hydrochloride Traditional Name: 3-cyclohexylbenzoic acid [1-(aminomethyl)-3-cyclohexyl-2-keto-propyl] ester hydrochloride Formula: C23H34ClNO3 MolecularWeight: 407.97396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)C(CN)OC(=O)C2=CC(=CC=C2)C3CCCCC3.Cl

Isomeric SMILES

C1CCC(CC1)CC(=O)C(CN)OC(=O)C2=CC(=CC=C2)C3CCCCC3.Cl

InChI

InChI=1S/C23H33NO3.ClH/c24-16-22(21(25)14-17-8-3-1-4-9-17)27-23(26)20-13-7-12-19(15-20)18-10-5-2-6-11-18;/h7,12-13,15,17-18,22H,1-6,8-11,14,16,24H2;1H