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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNCC(C)C

InChI

InChI=1S/C18H23NO3/c1-4-21-18(20)15-7-5-14(6-8-15)17-10-9-16(22-17)12-19-11-13(2)3/h5-10,13,19H,4,11-12H2,1-3H3