[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C21H25N5O4/c22-18(27)10-14-25(16-7-2-1-3-8-16)19(28)15-30-20(29)17-9-4-5-13-26(17)21-23-11-6-12-24-21/h1-3,6-8,11-12,17H,4-5,9-10,13-15H2,(H2,22,27)