butyl 3-carbamimidoyl-4-[5-(2-methoxy-2-oxidanylidene-ethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoate

Systemtic Name: butyl 3-carbamimidoyl-4-[5-(2-methoxy-2-oxidanylidene-ethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoate Openeye Name: butyl 3-carbamimidoyl-4-[5-(2-methoxy-2-oxo-ethyl)-4,5-dihydroisoxazol-3-yl]benzoate CAS Name: 3-carbamimidoyl-4-[5-(2-methoxy-2-oxoethyl)-4,5-dihydroisoxazol-3-yl]benzoic acid butyl ester IUPAC Name: butyl 3-carbamimidoyl-4-[5-(2-methoxy-2-oxoethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzoate Traditional Name: 3-amidino-4-[5-(2-keto-2-methoxy-ethyl)-2-isoxazolin-3-yl]benzoic acid butyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C=C1)C2=NOC(C2)CC(=O)OC)C(=N)N

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C=C1)C2=NOC(C2)CC(=O)OC)C(=N)N

InChI

InChI=1S/C18H23N3O5/c1-3-4-7-25-18(23)11-5-6-13(14(8-11)17(19)20)15-9-12(26-21-15)10-16(22)24-2/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H3,19,20)