methyl 2-[(2-ethyl-6-propan-2-yl-phenyl)carbamoylamino]-3-(4-fluorophenyl)propanoate

Systemtic Name: methyl 2-[(2-ethyl-6-propan-2-yl-phenyl)carbamoylamino]-3-(4-fluorophenyl)propanoate Openeye Name: methyl 2-[(2-ethyl-6-isopropyl-phenyl)carbamoylamino]-3-(4-fluorophenyl)propanoate CAS Name: 2-[[(2-ethyl-6-propan-2-ylanilino)-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-ethyl-6-propan-2-ylphenyl)carbamoylamino]-3-(4-fluorophenyl)propanoate Traditional Name: 2-[(2-ethyl-6-isopropyl-phenyl)carbamoylamino]-3-(4-fluorophenyl)propionic acid methyl ester Formula: C22H27FN2O3 MolecularWeight: 386.459783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)C)NC(=O)NC(CC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)C)NC(=O)NC(CC2=CC=C(C=C2)F)C(=O)OC

InChI

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