(4-methylcyclohexyl) 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate

Systemtic Name: (4-methylcyclohexyl) 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate Openeye Name: (4-methylcyclohexyl) 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid (4-methylcyclohexyl) ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)CC2CC(NC2=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1CCC(CC1)OC(=O)CC2CC(NC2=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H33N3O4/c1-17-2-10-24(11-3-17)34-25(31)15-21-14-22(30-27(21)32)16-33-23-12-8-19(9-13-23)18-4-6-20(7-5-18)26(28)29/h4-9,12-13,17,21-22,24H,2-3,10-11,14-16H2,1H3,(H3,28,29)(H,30,32)