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

Systemtic Name: 2-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]amino]-3-methyl-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)NC(C(C)C)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO3/c1-9(2)14(15(19)20)17-13(18)7-6-11-5-4-10(3)12(16)8-11/h4-9,14H,1-3H3,(H,17,18)(H,19,20)/b7-6+