methyl 2-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[[4-(1H-imidazol-5-yl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 2-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[[4-(1H-imidazol-5-yl)phenyl]carbonylamino]butanoate Openeye Name: methyl 2-[(1-carbamimidoyl-3-piperidyl)methyl]-3-[[4-(1H-imidazol-5-yl)benzoyl]amino]butanoate CAS Name: 2-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-[[[4-(1H-imidazol-5-yl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[[4-(1H-imidazol-5-yl)benzoyl]amino]butanoate Traditional Name: 2-[(1-amidino-3-piperidyl)methyl]-3-[[4-(1H-imidazol-5-yl)benzoyl]amino]butyric acid methyl ester Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1CCCN(C1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CN=CN3

Isomeric SMILES

CC(C(CC1CCCN(C1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CN=CN3

InChI

InChI=1S/C22H30N6O3/c1-14(18(21(30)31-2)10-15-4-3-9-28(12-15)22(23)24)27-20(29)17-7-5-16(6-8-17)19-11-25-13-26-19/h5-8,11,13-15,18H,3-4,9-10,12H2,1-2H3,(H3,23,24)(H,25,26)(H,27,29)