4-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]-methyl-amino]butanoic acid

Systemtic Name: 4-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]-methyl-amino]butanoic acid Openeye Name: 4-[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]-methyl-amino]butanoic acid CAS Name: 4-[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]-methylamino]butanoic acid IUPAC Name: 4-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]-methylamino]butanoic acid Traditional Name: 4-[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]-methyl-amino]butyric acid Formula: C15H18ClNO3 MolecularWeight: 295.76132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N(C)CCCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N(C)CCCC(=O)O)Cl

InChI

InChI=1S/C15H18ClNO3/c1-11-5-6-12(10-13(11)16)7-8-14(18)17(2)9-3-4-15(19)20/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)/b8-7+