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

Systemtic Name: 5-[[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(4-ethoxy-3-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=C(C=C1)C=CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-4-28-18-9-5-14(12-19(18)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+