methyl 3-(3-carbamimidoylphenyl)-5-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[(3R)-3-pyrrolidinyl]methoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COCC3CCNC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COC[C@@H]3CCNC3

InChI

InChI=1S/C21H25N3O3/c1-26-21(25)19-8-15(13-27-12-14-5-6-24-11-14)7-18(10-19)16-3-2-4-17(9-16)20(22)23/h2-4,7-10,14,24H,5-6,11-13H2,1H3,(H3,22,23)/t14-/m1/s1