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

Systemtic Name: (1-pyridin-4-ylpiperidin-4-yl)methyl 2,3-bis(azanyl)-6-oxidanyl-benzoate Openeye Name: [1-(4-pyridyl)-4-piperidyl]methyl 2,3-diamino-6-hydroxy-benzoate CAS Name: 2,3-diamino-6-hydroxybenzoic acid (1-pyridin-4-yl-4-piperidinyl)methyl ester IUPAC Name: (1-pyridin-4-ylpiperidin-4-yl)methyl 2,3-diamino-6-hydroxybenzoate Traditional Name: 2,3-diamino-6-hydroxy-benzoic acid [1-(4-pyridyl)-4-piperidyl]methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3/c19-14-1-2-15(23)16(17(14)20)18(24)25-11-12-5-9-22(10-6-12)13-3-7-21-8-4-13/h1-4,7-8,12,23H,5-6,9-11,19-20H2