methyl 4-[4-[[cyclohexyl(prop-2-ynyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

Systemtic Name: methyl 4-[4-[[cyclohexyl(prop-2-ynyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[4-[[cyclohexyl(prop-2-ynyl)amino]methyl]-5-methyl-oxazol-2-yl]benzoate CAS Name: 4-[4-[[cyclohexyl(prop-2-ynyl)amino]methyl]-5-methyl-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[cyclohexyl(prop-2-ynyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[4-[[cyclohexyl(propargyl)amino]methyl]-5-methyl-oxazol-2-yl]benzoic acid methyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)CN(CC#C)C3CCCCC3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)CN(CC#C)C3CCCCC3

InChI

InChI=1S/C22H26N2O3/c1-4-14-24(19-8-6-5-7-9-19)15-20-16(2)27-21(23-20)17-10-12-18(13-11-17)22(25)26-3/h1,10-13,19H,5-9,14-15H2,2-3H3