methyl (E)-2-cyano-3-[(3-ethoxy-3-oxidanylidene-propyl)-(phenylmethyl)amino]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[(3-ethoxy-3-oxidanylidene-propyl)-(phenylmethyl)amino]prop-2-enoate Openeye Name: methyl (E)-3-[benzyl-(3-ethoxy-3-oxo-propyl)amino]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[(3-ethoxy-3-oxopropyl)-(phenylmethyl)amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[benzyl-(3-ethoxy-3-oxopropyl)amino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[benzyl-(3-ethoxy-3-keto-propyl)amino]-2-cyano-acrylic acid methyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C=C(C#N)C(=O)OC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C17H20N2O4/c1-3-23-16(20)9-10-19(12-14-7-5-4-6-8-14)13-15(11-18)17(21)22-2/h4-8,13H,3,9-10,12H2,1-2H3/b15-13+