methyl 4-[[[2-acetyloxy-1-(4-carbamimidoylphenoxy)-2-oxidanylidene-ethyl]-(phenylcarbonyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-acetyloxy-1-(4-carbamimidoylphenoxy)-2-oxidanylidene-ethyl]-(phenylcarbonyl)amino]methyl]benzoate Openeye Name: methyl 4-[[[2-acetoxy-1-(4-carbamimidoylphenoxy)-2-oxo-ethyl]-benzoyl-amino]methyl]benzoate CAS Name: 4-[[[2-acetyloxy-1-(4-carbamimidoylphenoxy)-2-oxoethyl]-benzoylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-acetyloxy-1-(4-carbamimidoylphenoxy)-2-oxoethyl]-benzoylamino]methyl]benzoate Traditional Name: 4-[[[2-acetoxy-1-(4-amidinophenoxy)-2-keto-ethyl]-benzoyl-amino]methyl]benzoic acid methyl ester Formula: C27H25N3O7 MolecularWeight: 503.5033

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C(N(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)OC(=O)C(N(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H25N3O7/c1-17(31)36-27(34)25(37-22-14-12-19(13-15-22)23(28)29)30(24(32)20-6-4-3-5-7-20)16-18-8-10-21(11-9-18)26(33)35-2/h3-15,25H,16H2,1-2H3,(H3,28,29)