[2-[2,3-bis(azanyl)propyl]-3-(phenylcarbonyloxy)pyridin-4-yl] benzoate

Systemtic Name: [2-[2,3-bis(azanyl)propyl]-3-(phenylcarbonyloxy)pyridin-4-yl] benzoate Openeye Name: [3-benzoyloxy-2-(2,3-diaminopropyl)-4-pyridyl] benzoate CAS Name: benzoic acid [3-benzoyloxy-2-(2,3-diaminopropyl)-4-pyridinyl] ester IUPAC Name: [3-benzoyloxy-2-(2,3-diaminopropyl)pyridin-4-yl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-2-(2,3-diaminopropyl)-4-pyridyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C(=NC=C2)CC(CN)N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C(=NC=C2)CC(CN)N)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c23-14-17(24)13-18-20(29-22(27)16-9-5-2-6-10-16)19(11-12-25-18)28-21(26)15-7-3-1-4-8-15/h1-12,17H,13-14,23-24H2