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

Systemtic Name: 5-[[[(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C21H22ClNO6 MolecularWeight: 419.85548

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO6/c1-4-29-18-11-13(10-16(22)20(18)28-3)6-8-19(24)23-12-14-5-7-17(27-2)15(9-14)21(25)26/h5-11H,4,12H2,1-3H3,(H,23,24)(H,25,26)/b8-6+