2-(3-carbamimidoylphenoxy)ethyl 4-[methyl-[2-(methylamino)ethyl]carbamoyl]benzoate

Systemtic Name: 2-(3-carbamimidoylphenoxy)ethyl 4-[methyl-[2-(methylamino)ethyl]carbamoyl]benzoate Openeye Name: 2-(3-carbamimidoylphenoxy)ethyl 4-[methyl-[2-(methylamino)ethyl]carbamoyl]benzoate CAS Name: 4-[[methyl-[2-(methylamino)ethyl]amino]-oxomethyl]benzoic acid 2-(3-carbamimidoylphenoxy)ethyl ester IUPAC Name: 2-(3-carbamimidoylphenoxy)ethyl 4-[methyl-[2-(methylamino)ethyl]carbamoyl]benzoate Traditional Name: 4-[methyl-[2-(methylamino)ethyl]carbamoyl]benzoic acid 2-(3-amidinophenoxy)ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CNCCN(C)C(=O)C1=CC=C(C=C1)C(=O)OCCOC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CNCCN(C)C(=O)C1=CC=C(C=C1)C(=O)OCCOC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H26N4O4/c1-24-10-11-25(2)20(26)15-6-8-16(9-7-15)21(27)29-13-12-28-18-5-3-4-17(14-18)19(22)23/h3-9,14,24H,10-13H2,1-2H3,(H3,22,23)