methyl 4-[[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]carbamoylamino]benzoate

Systemtic Name: methyl 4-[[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]carbamoylamino]benzoate Openeye Name: methyl 4-[(2-benzylisoindolin-5-yl)carbamoylamino]benzoate CAS Name: 4-[[oxo-[[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-benzyl-1,3-dihydroisoindol-5-yl)carbamoylamino]benzoate Traditional Name: 4-[(2-benzylisoindolin-5-yl)carbamoylamino]benzoic acid methyl ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(CN(C3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(CN(C3)CC4=CC=CC=C4)C=C2

InChI

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