[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-[[(1S)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-15(2)8-9-16(3)22-20(24)14-26-21(25)13-12-18-11-10-17-6-4-5-7-19(17)23-18/h4-7,10-13,15-16H,8-9,14H2,1-3H3,(H,22,24)/b13-12+/t16-/m0/s1