2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-5-oxidanylidene-pent-3-enoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-5-oxidanylidene-pent-3-enoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-5-oxo-pent-3-enoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-1,5-dioxopent-3-enyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-5-oxopent-3-enoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(E)-5-(4-amidinophenyl)-5-keto-2,2-dimethyl-pent-3-enoyl]-4-piperidyl]acetic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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)C(=O)N2CCC(CC2)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-21(2,20(28)24-11-8-14(9-12-24)13-18(26)27)10-7-17(25)15-3-5-16(6-4-15)19(22)23/h3-7,10,14H,8-9,11-13H2,1-2H3,(H3,22,23)(H,26,27)/b10-7+