[2-(cyclopentylamino)-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-(cyclopentylamino)-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 [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C17H20BrNO5 MolecularWeight: 398.2484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)NC2CCCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)NC2CCCC2)Br)O

InChI

InChI=1S/C17H20BrNO5/c1-23-14-9-11(8-13(18)17(14)22)6-7-16(21)24-10-15(20)19-12-4-2-3-5-12/h6-9,12,22H,2-5,10H2,1H3,(H,19,20)/b7-6+