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

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

CCCCC1=CC(=C(C=C1)NC(=O)NC(CC2=CC=C(C=C2)F)C(=O)OC)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)NC(CC2=CC=C(C=C2)F)C(=O)OC)C

InChI

InChI=1S/C22H27FN2O3/c1-4-5-6-16-9-12-19(15(2)13-16)24-22(27)25-20(21(26)28-3)14-17-7-10-18(23)11-8-17/h7-13,20H,4-6,14H2,1-3H3,(H2,24,25,27)