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

Systemtic Name: ethyl 4-[5-[[[(2S)-butan-2-yl]amino]methyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[[[(1S)-1-methylpropyl]amino]methyl]-2-furyl]benzoate CAS Name: 4-[5-[[[(2S)-butan-2-yl]amino]methyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[[[(2S)-butan-2-yl]amino]methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[[(1S)-1-methylpropyl]amino]methyl]-2-furyl]benzoic acid ethyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-4-13(3)19-12-16-10-11-17(22-16)14-6-8-15(9-7-14)18(20)21-5-2/h6-11,13,19H,4-5,12H2,1-3H3/t13-/m0/s1