[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC(=O)NCC(=O)N)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)OCC(=O)NCC(=O)N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H29N3O6/c1-3-4-11-24-19(27)10-9-16(20(24)14-5-7-15(29-2)8-6-14)21(28)30-13-18(26)23-12-17(22)25/h5-8,16,20H,3-4,9-13H2,1-2H3,(H2,22,25)(H,23,26)/t16-,20-/m0/s1