methyl 3-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[cyclopropyl-(4-fluorobenzyl)amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(CC2=CC=C(C=C2)F)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(CC2=CC=C(C=C2)F)C3CC3

InChI

InChI=1S/C21H23FN2O3/c1-14-3-6-16(21(26)27-2)11-19(14)23-20(25)13-24(18-9-10-18)12-15-4-7-17(22)8-5-15/h3-8,11,18H,9-10,12-13H2,1-2H3,(H,23,25)