[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C=CC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)/C=C/C1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C20H23N3O4/c1-14(2)10-12-22-20(26)23-17(24)13-27-18(25)9-8-16-6-3-5-15-7-4-11-21-19(15)16/h3-9,11,14H,10,12-13H2,1-2H3,(H2,22,23,24,26)/b9-8+