[6-carbamimidoyl-1-(2-methoxy-2-oxidanylidene-ethyl)naphthalen-2-yl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [6-carbamimidoyl-1-(2-methoxy-2-oxidanylidene-ethyl)naphthalen-2-yl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [6-carbamimidoyl-1-(2-methoxy-2-oxo-ethyl)-2-naphthyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [6-carbamimidoyl-1-(2-methoxy-2-oxoethyl)-2-naphthalenyl] ester IUPAC Name: [6-carbamimidoyl-1-(2-methoxy-2-oxoethyl)naphthalen-2-yl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [6-amidino-1-(2-keto-2-methoxy-ethyl)-2-naphthyl] ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=CC2=C1C=CC(=C2)C(=N)N)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

COC(=O)CC1=C(C=CC2=C1C=CC(=C2)C(=N)N)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C22H21N5O4/c1-30-19(28)11-17-16-8-4-14(20(23)24)10-13(16)5-9-18(17)31-21(29)12-2-6-15(7-3-12)27-22(25)26/h2-10H,11H2,1H3,(H3,23,24)(H4,25,26,27)