5-chloranyl-2-methoxy-4-(3-phenylpropanoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-(3-phenylpropanoylamino)benzoic acid Openeye Name: 5-chloro-2-methoxy-4-(3-phenylpropanoylamino)benzoic acid CAS Name: 5-chloro-2-methoxy-4-[(1-oxo-3-phenylpropyl)amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-(3-phenylpropanoylamino)benzoic acid Traditional Name: 5-chloro-4-(hydrocinnamoylamino)-2-methoxy-benzoic acid Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H16ClNO4/c1-23-15-10-14(13(18)9-12(15)17(21)22)19-16(20)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H,21,22)