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

Systemtic Name: ethyl 5-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-5-methyl-hexanoate Openeye Name: ethyl 5-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-5-methyl-hexanoate CAS Name: 5-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl 5-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-5-methylhexanoate Traditional Name: 5-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-5-methyl-hexanoic acid ethyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4/c1-4-28-19(27)6-5-11-21(2,3)24-18(26)13-16-12-17(25-29-16)14-7-9-15(10-8-14)20(22)23/h7-10,16H,4-6,11-13H2,1-3H3,(H3,22,23)(H,24,26)