methyl 3-(3-carbamimidoylphenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxymethyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxymethyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxymethyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[(2R)-2-pyrrolidinyl]methoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxymethyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(2R)-pyrrolidin-2-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)COCC3CCCN3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COC[C@H]3CCCN3

InChI

InChI=1S/C21H25N3O3/c1-26-21(25)18-9-14(12-27-13-19-6-3-7-24-19)8-17(11-18)15-4-2-5-16(10-15)20(22)23/h2,4-5,8-11,19,24H,3,6-7,12-13H2,1H3,(H3,22,23)/t19-/m1/s1