[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C1=CC=C(C=C1)F)C(=O)NC2CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OC(C1=CC=C(C=C1)F)C(=O)NC2CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21FN2O4/c1-13(23-19(25)15-5-3-2-4-6-15)21(27)28-18(20(26)24-17-11-12-17)14-7-9-16(22)10-8-14/h2-10,13,17-18H,11-12H2,1H3,(H,23,25)(H,24,26)/t13-,18?/m0/s1