[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-(3-methylphenyl)prop-2-enoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C17H23NO3/c1-13(2)9-10-18-16(19)12-21-17(20)8-7-15-6-4-5-14(3)11-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,18,19)/b8-7+