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

Systemtic Name: ethyl 4-[5-[(hexylamino)methyl]furan-2-yl]benzoate hydrochloride Openeye Name: ethyl 4-[5-[(hexylamino)methyl]-2-furyl]benzoate hydrochloride CAS Name: 4-[5-[(hexylamino)methyl]-2-furanyl]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[5-[(hexylamino)methyl]furan-2-yl]benzoate hydrochloride Traditional Name: 4-[5-[(hexylamino)methyl]-2-furyl]benzoic acid ethyl ester hydrochloride Formula: C20H28ClNO3 MolecularWeight: 365.89422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC.Cl

Isomeric SMILES

CCCCCCNCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC.Cl

InChI

InChI=1S/C20H27NO3.ClH/c1-3-5-6-7-14-21-15-18-12-13-19(24-18)16-8-10-17(11-9-16)20(22)23-4-2;/h8-13,21H,3-7,14-15H2,1-2H3;1H