(1-pyridin-4-ylpiperidin-4-yl)methyl 2,3,6-tris(azanyl)benzoate

Systemtic Name: (1-pyridin-4-ylpiperidin-4-yl)methyl 2,3,6-tris(azanyl)benzoate Openeye Name: [1-(4-pyridyl)-4-piperidyl]methyl 2,3,6-triaminobenzoate CAS Name: 2,3,6-triaminobenzoic acid (1-pyridin-4-yl-4-piperidinyl)methyl ester IUPAC Name: (1-pyridin-4-ylpiperidin-4-yl)methyl 2,3,6-triaminobenzoate Traditional Name: 2,3,6-triaminobenzoic acid [1-(4-pyridyl)-4-piperidyl]methyl ester Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC(=O)C2=C(C=CC(=C2N)N)N)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1COC(=O)C2=C(C=CC(=C2N)N)N)C3=CC=NC=C3

InChI

InChI=1S/C18H23N5O2/c19-14-1-2-15(20)17(21)16(14)18(24)25-11-12-5-9-23(10-6-12)13-3-7-22-8-4-13/h1-4,7-8,12H,5-6,9-11,19-21H2