methoxymethyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-5-yl]benzoate

Systemtic Name: methoxymethyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-5-yl]benzoate Openeye Name: methoxymethyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-5-yl]benzoate CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-1,3-benzodioxol-5-yl]benzoic acid methoxymethyl ester IUPAC Name: methoxymethyl 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1,3-benzodioxol-5-yl]benzoate Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]-1,3-benzodioxol-5-yl]benzoic acid methoxymethyl ester Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

COCOC(=O)C1=CC=CC=C1C2=CC3=C(C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)OCO3

Isomeric SMILES

COCOC(=O)C1=CC=CC=C1C2=CC3=C(C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)OCO3

InChI

InChI=1S/C24H21N3O6/c1-30-12-33-24(29)17-5-3-2-4-16(17)18-10-20-21(32-13-31-20)11-19(18)23(28)27-15-8-6-14(7-9-15)22(25)26/h2-11H,12-13H2,1H3,(H3,25,26)(H,27,28)