(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: 2-(2-furoylamino)-3-phenyl-propionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3)C)C(C)(C)C

InChI

InChI=1S/C27H31NO4/c1-18-14-21(27(3,4)5)15-19(2)22(18)17-32-26(30)23(16-20-10-7-6-8-11-20)28-25(29)24-12-9-13-31-24/h6-15,23H,16-17H2,1-5H3,(H,28,29)