[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C=CC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)/C=C/C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H26N2O3/c1-3-4-5-8-16(2)22-20(24)15-26-21(25)14-13-18-12-11-17-9-6-7-10-19(17)23-18/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,22,24)/b14-13+/t16-/m0/s1