ethyl (3S)-1-[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3E)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3E)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl]nipecotic acid ethyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)/C=C/2\C(C3=CC=CC=C3N2C)(C)C

InChI

InChI=1S/C22H30N2O3/c1-5-27-21(26)16-9-8-12-24(14-16)15-17(25)13-20-22(2,3)18-10-6-7-11-19(18)23(20)4/h6-7,10-11,13,16H,5,8-9,12,14-15H2,1-4H3/b20-13+/t16-/m0/s1