[2-(cyclopentylamino)-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C17H20BrNO3 MolecularWeight: 366.2496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)OCC(=O)NC2CCCC2)Br

InChI

InChI=1S/C17H20BrNO3/c1-12-6-7-13(15(18)10-12)8-9-17(21)22-11-16(20)19-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H,19,20)/b9-8+