methyl 3-(3-carbamimidoylphenyl)-5-(2,3-dihydro-1H-isoindol-4-yloxymethyl)benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-(2,3-dihydro-1H-isoindol-4-yloxymethyl)benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-(isoindolin-4-yloxymethyl)benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-(2,3-dihydro-1H-isoindol-4-yloxymethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-(2,3-dihydro-1H-isoindol-4-yloxymethyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-(isoindolin-4-yloxymethyl)benzoic acid methyl ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COC3=CC=CC4=C3CNC4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COC3=CC=CC4=C3CNC4

InChI

InChI=1S/C24H23N3O3/c1-29-24(28)20-9-15(14-30-22-7-3-6-18-12-27-13-21(18)22)8-19(11-20)16-4-2-5-17(10-16)23(25)26/h2-11,27H,12-14H2,1H3,(H3,25,26)