[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22BrNO5 MolecularWeight: 412.27498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C=CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)/C=C/C2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C18H22BrNO5/c1-11(18(23)20-13-5-3-4-6-13)25-16(21)8-7-12-9-14(19)17(22)15(10-12)24-2/h7-11,13,22H,3-6H2,1-2H3,(H,20,23)/b8-7+/t11-/m1/s1