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

Systemtic Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-5-oxidanyl-pent-3-enoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-5-hydroxy-2,2-dimethyl-pent-3-enoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-5-hydroxy-2,2-dimethyl-1-oxopent-3-enyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(E)-5-(4-carbamimidoylphenyl)-5-hydroxy-2,2-dimethylpent-3-enoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(E)-5-(4-amidinophenyl)-5-hydroxy-2,2-dimethyl-pent-3-enoyl]-4-piperidyl]acetic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/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/h3-7,10,14,17,25H,8-9,11-13H2,1-2H3,(H3,22,23)(H,26,27)/b10-7+