[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25N3O3/c1-19(25(30)28-17-15-27(16-18-28)22-8-3-2-4-9-22)31-24(29)14-13-21-12-11-20-7-5-6-10-23(20)26-21/h2-14,19H,15-18H2,1H3/b14-13+/t19-/m0/s1