(E)-2-acetamido-3-(4-butoxy-3-chloranyl-5-methoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(4-butoxy-3-chloranyl-5-methoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(4-butoxy-3-chloro-5-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(4-butoxy-3-chloro-5-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(4-butoxy-3-chloro-5-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(4-butoxy-3-chloro-5-methoxy-phenyl)acrylic acid Formula: C16H20ClNO5 MolecularWeight: 341.7867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C=C(C(=O)O)NC(=O)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)/C=C(\C(=O)O)/NC(=O)C)OC

InChI

InChI=1S/C16H20ClNO5/c1-4-5-6-23-15-12(17)7-11(9-14(15)22-3)8-13(16(20)21)18-10(2)19/h7-9H,4-6H2,1-3H3,(H,18,19)(H,20,21)/b13-8+