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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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