3-cyanopropyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: 3-cyanopropyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: 3-cyanopropyl (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-propenoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid 3-cyanopropyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCCCC#N)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCCCC#N)OCC(=O)N

InChI

InChI=1S/C16H18N2O5/c1-21-14-10-12(4-6-13(14)23-11-15(18)19)5-7-16(20)22-9-3-2-8-17/h4-7,10H,2-3,9,11H2,1H3,(H2,18,19)/b7-5+