2-[1-[5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-5-oxidanylidene-pentanoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-5-oxidanylidene-pentanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-5-oxo-pentanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-1,5-dioxopentyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[5-(4-carbamimidoylphenyl)-3-methoxy-2,2-dimethyl-5-oxopentanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[5-(4-amidinophenyl)-5-keto-3-methoxy-2,2-dimethyl-pentanoyl]-4-piperidyl]acetic acid Formula: C22H31N3O5 MolecularWeight: 417.49864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC(=O)C1=CC=C(C=C1)C(=N)N)OC)C(=O)N2CCC(CC2)CC(=O)O

Isomeric SMILES

CC(C)(C(CC(=O)C1=CC=C(C=C1)C(=N)N)OC)C(=O)N2CCC(CC2)CC(=O)O

InChI

InChI=1S/C22H31N3O5/c1-22(2,21(29)25-10-8-14(9-11-25)12-19(27)28)18(30-3)13-17(26)15-4-6-16(7-5-15)20(23)24/h4-7,14,18H,8-13H2,1-3H3,(H3,23,24)(H,27,28)