ethyl 1-[[3-(3,5-dimethylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(3,5-dimethylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(3,5-dimethylphenyl)imino-2-oxo-indolin-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3,5-dimethylphenyl)imino-2-oxo-1-indolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(3,5-dimethylphenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(3,5-dimethylphenyl)imino-2-keto-indolin-1-yl]methyl]isonipecotic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3C(=NC4=CC(=CC(=C4)C)C)C2=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3C(=NC4=CC(=CC(=C4)C)C)C2=O

InChI

InChI=1S/C25H29N3O3/c1-4-31-25(30)19-9-11-27(12-10-19)16-28-22-8-6-5-7-21(22)23(24(28)29)26-20-14-17(2)13-18(3)15-20/h5-8,13-15,19H,4,9-12,16H2,1-3H3