4-[[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]methyl]benzoic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C18H17NO5/c1-24-16-10-12(4-8-15(16)20)5-9-17(21)19-11-13-2-6-14(7-3-13)18(22)23/h2-10,20H,11H2,1H3,(H,19,21)(H,22,23)/b9-5+