methyl 3-(3-carbamimidoylphenyl)-5-[[(1-propanimidoylpiperidin-4-yl)methylamino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(1-propanimidoylpiperidin-4-yl)methylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(1-propanimidoyl-4-piperidyl)methylamino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[1-(1-iminopropyl)-4-piperidinyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(1-propanimidoylpiperidin-4-yl)methylamino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(1-propanimidoyl-4-piperidyl)methylamino]methyl]benzoic acid methyl ester Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=N)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CCC(=N)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C25H33N5O2/c1-3-23(26)30-9-7-17(8-10-30)15-29-16-18-11-21(14-22(12-18)25(31)32-2)19-5-4-6-20(13-19)24(27)28/h4-6,11-14,17,26,29H,3,7-10,15-16H2,1-2H3,(H3,27,28)