[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(=CC1=CC(=CC=C1)OC)C#N

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)/C(=C/C1=CC(=CC=C1)OC)/C#N

InChI

InChI=1S/C18H22N2O4/c1-4-15(5-2)20-17(21)12-24-18(22)14(11-19)9-13-7-6-8-16(10-13)23-3/h6-10,15H,4-5,12H2,1-3H3,(H,20,21)/b14-9+