ethyl (2R,3R,6S)-4-azanylidene-2,6-bis(3-methoxy-2-oxidanyl-phenyl)piperidine-3-carboxylate

Systemtic Name: ethyl (2R,3R,6S)-4-azanylidene-2,6-bis(3-methoxy-2-oxidanyl-phenyl)piperidine-3-carboxylate Openeye Name: ethyl (2R,3R,6S)-2,6-bis(2-hydroxy-3-methoxy-phenyl)-4-imino-piperidine-3-carboxylate CAS Name: (2R,3R,6S)-2,6-bis(2-hydroxy-3-methoxyphenyl)-4-imino-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,6S)-2,6-bis(2-hydroxy-3-methoxyphenyl)-4-iminopiperidine-3-carboxylate Traditional Name: (2R,3R,6S)-2,6-bis(2-hydroxy-3-methoxy-phenyl)-4-imino-nipecotic acid ethyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(CC1=N)C2=C(C(=CC=C2)OC)O)C3=C(C(=CC=C3)OC)O

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](N[C@@H](CC1=N)C2=C(C(=CC=C2)OC)O)C3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C22H26N2O6/c1-4-30-22(27)18-14(23)11-15(12-7-5-9-16(28-2)20(12)25)24-19(18)13-8-6-10-17(29-3)21(13)26/h5-10,15,18-19,23-26H,4,11H2,1-3H3/t15-,18-,19-/m0/s1