methyl 4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]butanoate

Systemtic Name: methyl 4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]butanoate Openeye Name: methyl 4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-3-(3-bromophenyl)acryloyl]amino]butyric acid methyl ester Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C=CC1=CC(=CC=C1)Br

Isomeric SMILES

COC(=O)CCCNC(=O)/C=C/C1=CC(=CC=C1)Br

InChI

InChI=1S/C14H16BrNO3/c1-19-14(18)6-3-9-16-13(17)8-7-11-4-2-5-12(15)10-11/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,16,17)/b8-7+