methyl 3-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methylcarbamoyl]-5-chloranyl-benzoate

Systemtic Name: methyl 3-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methylcarbamoyl]-5-chloranyl-benzoate Openeye Name: methyl 3-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxo-ethoxy]phenyl]methylcarbamoyl]-5-chloro-benzoate CAS Name: 3-[[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methylamino]-oxomethyl]-5-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]-5-chlorobenzoate Traditional Name: 3-[[4-amidino-2-[2-keto-2-(methylamino)ethoxy]benzyl]carbamoyl]-5-chloro-benzoic acid methyl ester Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2=CC(=CC(=C2)Cl)C(=O)OC

Isomeric SMILES

CNC(=O)COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2=CC(=CC(=C2)Cl)C(=O)OC

InChI

InChI=1S/C20H21ClN4O5/c1-24-17(26)10-30-16-8-11(18(22)23)3-4-12(16)9-25-19(27)13-5-14(20(28)29-2)7-15(21)6-13/h3-8H,9-10H2,1-2H3,(H3,22,23)(H,24,26)(H,25,27)