2-methylpropyl 4-[5-(2-methylpropylamino)pentanoylamino]benzoate hydrochloride

Systemtic Name: 2-methylpropyl 4-[5-(2-methylpropylamino)pentanoylamino]benzoate hydrochloride Openeye Name: isobutyl 4-[5-(isobutylamino)pentanoylamino]benzoate hydrochloride CAS Name: 4-[[5-(2-methylpropylamino)-1-oxopentyl]amino]benzoic acid 2-methylpropyl ester hydrochloride IUPAC Name: 2-methylpropyl 4-[5-(2-methylpropylamino)pentanoylamino]benzoate hydrochloride Traditional Name: 4-[5-(isobutylamino)pentanoylamino]benzoic acid isobutyl ester hydrochloride Formula: C20H33ClN2O3 MolecularWeight: 384.94062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCCCCC(=O)NC1=CC=C(C=C1)C(=O)OCC(C)C.Cl

Isomeric SMILES

CC(C)CNCCCCC(=O)NC1=CC=C(C=C1)C(=O)OCC(C)C.Cl

InChI

InChI=1S/C20H32N2O3.ClH/c1-15(2)13-21-12-6-5-7-19(23)22-18-10-8-17(9-11-18)20(24)25-14-16(3)4;/h8-11,15-16,21H,5-7,12-14H2,1-4H3,(H,22,23);1H