diethyl 4-[2-[6-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]hexoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[2-[6-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]hexoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[2-[6-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]hexoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-[6-[[amino-[3-(1H-imidazol-5-yl)propylimino]methyl]amino]hexoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[2-[6-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]hexoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-[6-[[N'-[3-(1H-imidazol-5-yl)propyl]amidino]amino]hexoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C32H46N6O5 MolecularWeight: 594.74484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OCCCCCCNC(=NCCCC3=CN=CN3)N)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OCCCCCCNC(=NCCCC3=CN=CN3)N)C(=O)OCC)C)C

InChI

InChI=1S/C32H46N6O5/c1-5-41-30(39)27-22(3)38-23(4)28(31(40)42-6-2)29(27)25-15-9-10-16-26(25)43-19-12-8-7-11-17-35-32(33)36-18-13-14-24-20-34-21-37-24/h9-10,15-16,20-21,29,38H,5-8,11-14,17-19H2,1-4H3,(H,34,37)(H3,33,35,36)