ethyl 4-[5-[(octylamino)methyl]furan-2-yl]benzoate hydrochloride

Systemtic Name: ethyl 4-[5-[(octylamino)methyl]furan-2-yl]benzoate hydrochloride Openeye Name: ethyl 4-[5-[(octylamino)methyl]-2-furyl]benzoate hydrochloride CAS Name: 4-[5-[(octylamino)methyl]-2-furanyl]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[5-[(octylamino)methyl]furan-2-yl]benzoate hydrochloride Traditional Name: 4-[5-[(octylamino)methyl]-2-furyl]benzoic acid ethyl ester hydrochloride Formula: C22H32ClNO3 MolecularWeight: 393.94738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC.Cl

Isomeric SMILES

CCCCCCCCNCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC.Cl

InChI

InChI=1S/C22H31NO3.ClH/c1-3-5-6-7-8-9-16-23-17-20-14-15-21(26-20)18-10-12-19(13-11-18)22(24)25-4-2;/h10-15,23H,3-9,16-17H2,1-2H3;1H