ethyl 1-[2-[(1S)-1-(1,2-dimethylindol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(1S)-1-(1,2-dimethylindol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(1S)-1-(1,2-dimethylindol-3-yl)-3-oxo-isoindolin-2-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1S)-1-(1,2-dimethyl-3-indolyl)-3-oxo-1H-isoindol-2-yl]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(1S)-1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1S)-1-(1,2-dimethylindol-3-yl)-3-keto-isoindolin-2-yl]acetyl]isonipecotic acid ethyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN2C(C3=CC=CC=C3C2=O)C4=C(N(C5=CC=CC=C54)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN2[C@@H](C3=CC=CC=C3C2=O)C4=C(N(C5=CC=CC=C54)C)C

InChI

InChI=1S/C28H31N3O4/c1-4-35-28(34)19-13-15-30(16-14-19)24(32)17-31-26(20-9-5-6-10-21(20)27(31)33)25-18(2)29(3)23-12-8-7-11-22(23)25/h5-12,19,26H,4,13-17H2,1-3H3/t26-/m0/s1