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

Systemtic Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-3-phenylmethoxy-pent-4-enoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(E)-3-benzyloxy-5-(4-carbamimidoylphenyl)-2,2-dimethyl-pent-4-enoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-1-oxo-3-phenylmethoxypent-4-enyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-3-phenylmethoxypent-4-enoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(E)-5-(4-amidinophenyl)-3-benzoxy-2,2-dimethyl-pent-4-enoyl]-4-piperidyl]acetic acid Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C=CC1=CC=C(C=C1)C(=N)N)OCC2=CC=CC=C2)C(=O)N3CCC(CC3)CC(=O)O

Isomeric SMILES

CC(C)(C(/C=C/C1=CC=C(C=C1)C(=N)N)OCC2=CC=CC=C2)C(=O)N3CCC(CC3)CC(=O)O

InChI

InChI=1S/C28H35N3O4/c1-28(2,27(34)31-16-14-21(15-17-31)18-25(32)33)24(35-19-22-6-4-3-5-7-22)13-10-20-8-11-23(12-9-20)26(29)30/h3-13,21,24H,14-19H2,1-2H3,(H3,29,30)(H,32,33)/b13-10+