methyl 4-[4-[[but-2-ynyl(furan-2-ylmethyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

Systemtic Name: methyl 4-[4-[[but-2-ynyl(furan-2-ylmethyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[4-[[but-2-ynyl(2-furylmethyl)amino]methyl]-5-methyl-oxazol-2-yl]benzoate CAS Name: 4-[4-[[but-2-ynyl(2-furanylmethyl)amino]methyl]-5-methyl-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[but-2-ynyl(furan-2-ylmethyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[4-[[but-2-ynyl(2-furfuryl)amino]methyl]-5-methyl-oxazol-2-yl]benzoic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(CC1=CC=CO1)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC#CCN(CC1=CC=CO1)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H22N2O4/c1-4-5-12-24(14-19-7-6-13-27-19)15-20-16(2)28-21(23-20)17-8-10-18(11-9-17)22(25)26-3/h6-11,13H,12,14-15H2,1-3H3