[(2S)-6-(4-carbamimidoylphenyl)-2-oxidanyl-hex-5-ynyl] 3-(4-ethoxyphenyl)propanoate

Systemtic Name: [(2S)-6-(4-carbamimidoylphenyl)-2-oxidanyl-hex-5-ynyl] 3-(4-ethoxyphenyl)propanoate Openeye Name: [(2S)-6-(4-carbamimidoylphenyl)-2-hydroxy-hex-5-ynyl] 3-(4-ethoxyphenyl)propanoate CAS Name: 3-(4-ethoxyphenyl)propanoic acid [(2S)-6-(4-carbamimidoylphenyl)-2-hydroxyhex-5-ynyl] ester IUPAC Name: [(2S)-6-(4-carbamimidoylphenyl)-2-hydroxyhex-5-ynyl] 3-(4-ethoxyphenyl)propanoate Traditional Name: 3-p-phenetylpropionic acid [(2S)-6-(4-amidinophenyl)-2-hydroxy-hex-5-ynyl] ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC(=O)OCC(CCC#CC2=CC=C(C=C2)C(=N)N)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(=O)OC[C@H](CCC#CC2=CC=C(C=C2)C(=N)N)O

InChI

InChI=1S/C24H28N2O4/c1-2-29-22-14-9-19(10-15-22)11-16-23(28)30-17-21(27)6-4-3-5-18-7-12-20(13-8-18)24(25)26/h7-10,12-15,21,27H,2,4,6,11,16-17H2,1H3,(H3,25,26)/t21-/m0/s1