4-[1-phenylpropan-2-yl(propyl)amino]butyl 3,4,5-triethoxybenzoate hydrochloride

Systemtic Name: 4-[1-phenylpropan-2-yl(propyl)amino]butyl 3,4,5-triethoxybenzoate hydrochloride Openeye Name: 4-[(1-methyl-2-phenyl-ethyl)-propyl-amino]butyl 3,4,5-triethoxybenzoate hydrochloride CAS Name: 3,4,5-triethoxybenzoic acid 4-[1-phenylpropan-2-yl(propyl)amino]butyl ester hydrochloride IUPAC Name: 4-[1-phenylpropan-2-yl(propyl)amino]butyl 3,4,5-triethoxybenzoate hydrochloride Traditional Name: 3,4,5-triethoxybenzoic acid 4-[(1-methyl-2-phenyl-ethyl)-propyl-amino]butyl ester hydrochloride Formula: C29H44ClNO5 MolecularWeight: 522.11636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCOC(=O)C1=CC(=C(C(=C1)OCC)OCC)OCC)C(C)CC2=CC=CC=C2.Cl

Isomeric SMILES

CCCN(CCCCOC(=O)C1=CC(=C(C(=C1)OCC)OCC)OCC)C(C)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C29H43NO5.ClH/c1-6-17-30(23(5)20-24-15-11-10-12-16-24)18-13-14-19-35-29(31)25-21-26(32-7-2)28(34-9-4)27(22-25)33-8-3;/h10-12,15-16,21-23H,6-9,13-14,17-20H2,1-5H3;1H