methyl 2-[(2-tert-butyl-6-methyl-phenyl)carbamoylamino]-3-(4-fluorophenyl)propanoate

Systemtic Name: methyl 2-[(2-tert-butyl-6-methyl-phenyl)carbamoylamino]-3-(4-fluorophenyl)propanoate Openeye Name: methyl 2-[(2-tert-butyl-6-methyl-phenyl)carbamoylamino]-3-(4-fluorophenyl)propanoate CAS Name: 2-[[(2-tert-butyl-6-methylanilino)-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-tert-butyl-6-methylphenyl)carbamoylamino]-3-(4-fluorophenyl)propanoate Traditional Name: 2-[(2-tert-butyl-6-methyl-phenyl)carbamoylamino]-3-(4-fluorophenyl)propionic acid methyl ester Formula: C22H27FN2O3 MolecularWeight: 386.459783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)NC(CC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)NC(CC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C22H27FN2O3/c1-14-7-6-8-17(22(2,3)4)19(14)25-21(27)24-18(20(26)28-5)13-15-9-11-16(23)12-10-15/h6-12,18H,13H2,1-5H3,(H2,24,25,27)