3-phenylbutyl N-[[(E)-3-(2-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]carbamate

Systemtic Name: 3-phenylbutyl N-[[(E)-3-(2-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]carbamate Openeye Name: 3-phenylbutyl N-[[(E)-3-(2-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]carbamate CAS Name: N-[[(E)-3-(2-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]amino]carbamic acid 3-phenylbutyl ester IUPAC Name: 3-phenylbutyl N-[[(E)-3-(2-chloro-4-fluorophenyl)prop-2-enoyl]amino]carbamate Traditional Name: N-[[(E)-3-(2-chloro-4-fluoro-phenyl)acryloyl]amino]carbamic acid 3-phenylbutyl ester Formula: C20H20ClFN2O3 MolecularWeight: 390.835803

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)NNC(=O)C=CC1=C(C=C(C=C1)F)Cl)C2=CC=CC=C2

Isomeric SMILES

CC(CCOC(=O)NNC(=O)/C=C/C1=C(C=C(C=C1)F)Cl)C2=CC=CC=C2

InChI

InChI=1S/C20H20ClFN2O3/c1-14(15-5-3-2-4-6-15)11-12-27-20(26)24-23-19(25)10-8-16-7-9-17(22)13-18(16)21/h2-10,13-14H,11-12H2,1H3,(H,23,25)(H,24,26)/b10-8+