2-[4-[(4-carbamimidoylphenyl)-cyclohexyloxy-methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-carbamimidoylphenyl)-cyclohexyloxy-methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[(4-carbamimidoylphenyl)-(cyclohexoxy)methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[(4-carbamimidoylphenyl)-cyclohexyloxymethyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[(4-carbamimidoylphenyl)-cyclohexyloxymethyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[(4-amidinophenyl)-(cyclohexoxy)methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(C2CNC(=O)C2CC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCC(CC1)OC(C2CNC(=O)C2CC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H27N3O4/c21-19(22)13-8-6-12(7-9-13)18(27-14-4-2-1-3-5-14)16-11-23-20(26)15(16)10-17(24)25/h6-9,14-16,18H,1-5,10-11H2,(H3,21,22)(H,23,26)(H,24,25)