(E)-6-(2-azanyl-3-chloranyl-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid

Systemtic Name: (E)-6-(2-azanyl-3-chloranyl-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(2-amino-3-chloro-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(2-amino-3-chloro-6-methoxy-4,5-dimethylphenyl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(2-amino-3-chloro-6-methoxy-4,5-dimethylphenyl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(2-amino-3-chloro-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)CC=C(C)CCC(=O)O)N)Cl)C

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)N)Cl)C

InChI

InChI=1S/C16H22ClNO3/c1-9(6-8-13(19)20)5-7-12-15(18)14(17)10(2)11(3)16(12)21-4/h5H,6-8,18H2,1-4H3,(H,19,20)/b9-5+