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

Systemtic Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-3-hexoxy-2,2-dimethyl-pent-4-enoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-3-hexoxy-2,2-dimethyl-pent-4-enoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-3-hexoxy-2,2-dimethyl-1-oxopent-4-enyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-3-hexoxy-2,2-dimethylpent-4-enoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(E)-5-(4-amidinophenyl)-3-hexoxy-2,2-dimethyl-pent-4-enoyl]-4-piperidyl]acetic acid Formula: C27H41N3O4 MolecularWeight: 471.63214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C=CC1=CC=C(C=C1)C(=N)N)C(C)(C)C(=O)N2CCC(CC2)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O4/c1-4-5-6-7-18-34-23(13-10-20-8-11-22(12-9-20)25(28)29)27(2,3)26(33)30-16-14-21(15-17-30)19-24(31)32/h8-13,21,23H,4-7,14-19H2,1-3H3,(H3,28,29)(H,31,32)/b13-10+