[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22BrNO3 MolecularWeight: 380.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OC(C)C(=O)NC2CCCC2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)O[C@H](C)C(=O)NC2CCCC2)Br

InChI

InChI=1S/C18H22BrNO3/c1-12-7-8-14(16(19)11-12)9-10-17(21)23-13(2)18(22)20-15-5-3-4-6-15/h7-11,13,15H,3-6H2,1-2H3,(H,20,22)/b10-9+/t13-/m1/s1