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

Systemtic Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-3-prop-2-ynoxy-pent-4-enoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-3-prop-2-ynoxy-pent-4-enoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-1-oxo-3-prop-2-ynoxypent-4-enyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-3-prop-2-ynoxypent-4-enoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(E)-5-(4-amidinophenyl)-2,2-dimethyl-3-propargyloxy-pent-4-enoyl]-4-piperidyl]acetic acid Formula: C24H31N3O4 MolecularWeight: 425.52064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C=CC1=CC=C(C=C1)C(=N)N)OCC#C)C(=O)N2CCC(CC2)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4/c1-4-15-31-20(10-7-17-5-8-19(9-6-17)22(25)26)24(2,3)23(30)27-13-11-18(12-14-27)16-21(28)29/h1,5-10,18,20H,11-16H2,2-3H3,(H3,25,26)(H,28,29)/b10-7+