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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acrylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)OCC(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H22ClNO5/c1-3-27-21-17(22)11-16(12-18(21)26-2)9-10-20(25)28-14-19(24)23-13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,23,24)/b10-9+