2-[1-[2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]piperidin-4-yl]oxy-3,3-dimethyl-butanoate

Systemtic Name: 2-[1-[2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]piperidin-4-yl]oxy-3,3-dimethyl-butanoate Openeye Name: 2-[[1-[2-[(4-carbamimidoylbenzoyl)amino]propanoyl]-4-piperidyl]oxy]-3,3-dimethyl-butanoate CAS Name: 2-[[1-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinyl]oxy]-3,3-dimethylbutanoate IUPAC Name: 2-[1-[2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidin-4-yl]oxy-3,3-dimethylbutanoate Traditional Name: 2-[[1-[2-[(4-amidinobenzoyl)amino]propanoyl]-4-piperidyl]oxy]-3,3-dimethyl-butyrate Formula: C22H31N4O5- MolecularWeight: 431.50534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)OC(C(=O)[O-])C(C)(C)C)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C(=O)N1CCC(CC1)OC(C(=O)[O-])C(C)(C)C)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H32N4O5/c1-13(25-19(27)15-7-5-14(6-8-15)18(23)24)20(28)26-11-9-16(10-12-26)31-17(21(29)30)22(2,3)4/h5-8,13,16-17H,9-12H2,1-4H3,(H3,23,24)(H,25,27)(H,29,30)/p-1