methyl 5-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]heptanoate

Systemtic Name: methyl 5-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]heptanoate Openeye Name: methyl 5-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]heptanoate CAS Name: 5-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 5-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]heptanoate Traditional Name: 5-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]enanthic acid methyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(=O)OC)NC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC(CCCC(=O)OC)NC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H28N4O4/c1-3-15(5-4-6-19(26)27-2)23-18(25)12-16-11-17(24-28-16)13-7-9-14(10-8-13)20(21)22/h7-10,15-16H,3-6,11-12H2,1-2H3,(H3,21,22)(H,23,25)