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

Systemtic Name: 5-[[[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(3-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(3-ethoxy-4-methoxy-phenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

InChI

InChI=1S/C21H23NO6/c1-4-28-19-12-14(5-9-18(19)27-3)7-10-20(23)22-13-15-6-8-17(26-2)16(11-15)21(24)25/h5-12H,4,13H2,1-3H3,(H,22,23)(H,24,25)/b10-7+