ethyl 4-[5-[(1-oxidanylbutan-2-ylamino)methyl]furan-2-yl]benzoate hydrochloride

Systemtic Name: ethyl 4-[5-[(1-oxidanylbutan-2-ylamino)methyl]furan-2-yl]benzoate hydrochloride Openeye Name: ethyl 4-[5-[[1-(hydroxymethyl)propylamino]methyl]-2-furyl]benzoate hydrochloride CAS Name: 4-[5-[(1-hydroxybutan-2-ylamino)methyl]-2-furanyl]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-yl]benzoate hydrochloride Traditional Name: 4-[5-[(1-methylolpropylamino)methyl]-2-furyl]benzoic acid ethyl ester hydrochloride Formula: C18H24ClNO4 MolecularWeight: 353.84046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC.Cl

Isomeric SMILES

CCC(CO)NCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC.Cl

InChI

InChI=1S/C18H23NO4.ClH/c1-3-15(12-20)19-11-16-9-10-17(23-16)13-5-7-14(8-6-13)18(21)22-4-2;/h5-10,15,19-20H,3-4,11-12H2,1-2H3;1H