[3-carbamimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] 2-chloranylbenzoate

Systemtic Name: [3-carbamimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] 2-chloranylbenzoate Openeye Name: [3-carbamimidoyl-4-[3-(1-piperidyl)propoxy]-2-pyridyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [3-carbamimidoyl-4-[3-(1-piperidinyl)propoxy]-2-pyridinyl] ester IUPAC Name: [3-carbamimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [3-amidino-4-(3-piperidinopropoxy)-2-pyridyl] ester Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=C(C(=NC=C2)OC(=O)C3=CC=CC=C3Cl)C(=N)N

Isomeric SMILES

C1CCN(CC1)CCCOC2=C(C(=NC=C2)OC(=O)C3=CC=CC=C3Cl)C(=N)N

InChI

InChI=1S/C21H25ClN4O3/c22-16-8-3-2-7-15(16)21(27)29-20-18(19(23)24)17(9-10-25-20)28-14-6-13-26-11-4-1-5-12-26/h2-3,7-10H,1,4-6,11-14H2,(H3,23,24)