methyl 3-[4-(4-carbamimidoylphenyl)-2-piperidin-1-yl-imidazol-4-yl]propanoate

Systemtic Name: methyl 3-[4-(4-carbamimidoylphenyl)-2-piperidin-1-yl-imidazol-4-yl]propanoate Openeye Name: methyl 3-[4-(4-carbamimidoylphenyl)-2-(1-piperidyl)imidazol-4-yl]propanoate CAS Name: 3-[4-(4-carbamimidoylphenyl)-2-(1-piperidinyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-carbamimidoylphenyl)-2-piperidin-1-ylimidazol-4-yl]propanoate Traditional Name: 3-[4-(4-amidinophenyl)-2-piperidino-imidazol-4-yl]propionic acid methyl ester Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(C=NC(=N1)N2CCCCC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1(C=NC(=N1)N2CCCCC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H25N5O2/c1-26-16(25)9-10-19(15-7-5-14(6-8-15)17(20)21)13-22-18(23-19)24-11-3-2-4-12-24/h5-8,13H,2-4,9-12H2,1H3,(H3,20,21)