[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[[(1S)-1,5-dimethylhexyl]amino]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-[[(1S)-1,5-dimethylhexyl]amino]-2-keto-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-16(2)7-6-8-17(3)23-21(25)15-27-22(26)14-13-19-12-11-18-9-4-5-10-20(18)24-19/h4-5,9-14,16-17H,6-8,15H2,1-3H3,(H,23,25)/b14-13+/t17-/m0/s1