[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-propenoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)acrylic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)OCC(=O)NC2=CC=CC(=C2)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC(=O)NC2=CC=CC(=C2)C)OC

InChI

InChI=1S/C22H24ClNO5/c1-4-10-28-22-18(23)12-16(13-19(22)27-3)8-9-21(26)29-14-20(25)24-17-7-5-6-15(2)11-17/h5-9,11-13H,4,10,14H2,1-3H3,(H,24,25)/b9-8+