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

Systemtic Name: 3-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methylcarbamoyl]-5-chloranyl-benzoic acid Openeye Name: 3-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxo-ethoxy]phenyl]methylcarbamoyl]-5-chloro-benzoic acid CAS Name: 3-[[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methylamino]-oxomethyl]-5-chlorobenzoic acid IUPAC Name: 3-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]-5-chlorobenzoic acid Traditional Name: 3-[[4-amidino-2-[2-keto-2-(methylamino)ethoxy]benzyl]carbamoyl]-5-chloro-benzoic acid Formula: C19H19ClN4O5 MolecularWeight: 418.83096

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O5/c1-23-16(25)9-29-15-7-10(17(21)22)2-3-11(15)8-24-18(26)12-4-13(19(27)28)6-14(20)5-12/h2-7H,8-9H2,1H3,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)