ethyl 4-[5-[[[(2S)-1-oxidanylbutan-2-yl]amino]methyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[[[(2S)-1-oxidanylbutan-2-yl]amino]methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[[[(1S)-1-(hydroxymethyl)propyl]amino]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[[(1S)-1-methylolpropyl]amino]methyl]-2-furyl]benzoic acid ethyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](CO)NCC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H23NO4/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/t15-/m0/s1