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

Systemtic Name: (2,4,6-trimethylphenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate Openeye Name: (2,4,6-trimethylphenyl) 3-(1-carbamimidoyl-4-piperidyl)propanoate CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid mesityl ester Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-12-10-13(2)17(14(3)11-12)23-16(22)5-4-15-6-8-21(9-7-15)18(19)20/h10-11,15H,4-9H2,1-3H3,(H3,19,20)