(2,6-dimethylphenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate

Systemtic Name: (2,6-dimethylphenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate Openeye Name: (2,6-dimethylphenyl) 3-(1-carbamimidoyl-4-piperidyl)propanoate CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid (2,6-dimethylphenyl) ester Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CCC2CCN(CC2)C(=N)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CCC2CCN(CC2)C(=N)N

InChI

InChI=1S/C17H25N3O2/c1-12-4-3-5-13(2)16(12)22-15(21)7-6-14-8-10-20(11-9-14)17(18)19/h3-5,14H,6-11H2,1-2H3,(H3,18,19)