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

Systemtic Name: 3-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3-[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 3-[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 3-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 3-[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]amino]butyric acid Formula: C14H16ClNO3 MolecularWeight: 281.73474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)NC(C)CC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)NC(C)CC(=O)O)Cl

InChI

InChI=1S/C14H16ClNO3/c1-9-3-4-11(8-12(9)15)5-6-13(17)16-10(2)7-14(18)19/h3-6,8,10H,7H2,1-2H3,(H,16,17)(H,18,19)/b6-5+