methyl 3-carbamimidoyl-4-[4-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]benzoate

Systemtic Name: methyl 3-carbamimidoyl-4-[4-[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-3-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[4-[4-(3-methoxy-3-oxo-propyl)phenyl]-3-methyl-5-oxo-1,2,4-triazol-1-yl]benzoate CAS Name: 3-carbamimidoyl-4-[4-[4-(3-methoxy-3-oxopropyl)phenyl]-3-methyl-5-oxo-1,2,4-triazol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[4-[4-(3-methoxy-3-oxopropyl)phenyl]-3-methyl-5-oxo-1,2,4-triazol-1-yl]benzoate Traditional Name: 3-amidino-4-[5-keto-4-[4-(3-keto-3-methoxy-propyl)phenyl]-3-methyl-1,2,4-triazol-1-yl]benzoic acid methyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OC)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OC)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

InChI

InChI=1S/C22H23N5O5/c1-13-25-27(18-10-7-15(21(29)32-3)12-17(18)20(23)24)22(30)26(13)16-8-4-14(5-9-16)6-11-19(28)31-2/h4-5,7-10,12H,6,11H2,1-3H3,(H3,23,24)