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

Systemtic Name: 4-[[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]methyl]benzoic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-3-26-17-10-6-14(12-18(17)25-2)7-11-19(22)21-13-15-4-8-16(9-5-15)20(23)24/h4-12H,3,13H2,1-2H3,(H,21,22)(H,23,24)/b11-7+