[1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-[[(E)-methylaminomethyliminomethyl]amino]benzoate

Systemtic Name: [1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-[[(E)-methylaminomethyliminomethyl]amino]benzoate Openeye Name: [1-(2-amino-2-oxo-ethyl)-6-carbamimidoyl-2-naphthyl] 4-[[(E)-methylaminomethyliminomethyl]amino]benzoate CAS Name: 4-[[(E)-methylaminomethyliminomethyl]amino]benzoic acid [1-(2-amino-2-oxoethyl)-6-carbamimidoyl-2-naphthalenyl] ester IUPAC Name: [1-(2-amino-2-oxoethyl)-6-carbamimidoylnaphthalen-2-yl] 4-[[(E)-methylaminomethyliminomethyl]amino]benzoate Traditional Name: 4-[[(E)-methylaminomethyliminomethyl]amino]benzoic acid [6-amidino-1-(2-amino-2-keto-ethyl)-2-naphthyl] ester Formula: C23H24N6O3 MolecularWeight: 432.47506

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Descriptors Computed from Structure

Canonical SMILES:

CNCN=CNC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N

Isomeric SMILES

CNC/N=C/NC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N

InChI

InChI=1S/C23H24N6O3/c1-27-12-28-13-29-17-6-2-14(3-7-17)23(31)32-20-9-5-15-10-16(22(25)26)4-8-18(15)19(20)11-21(24)30/h2-10,13,27H,11-12H2,1H3,(H2,24,30)(H3,25,26)(H,28,29)