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

Systemtic Name: (4-propan-2-ylcyclohexyl) 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoate hydrochloride Openeye Name: (4-isopropylcyclohexyl) 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetate hydrochloride CAS Name: 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid (4-propan-2-ylcyclohexyl) ester hydrochloride IUPAC Name: (4-propan-2-ylcyclohexyl) 2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate hydrochloride Traditional Name: 2-[5-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid (4-isopropylcyclohexyl) ester hydrochloride Formula: C29H38ClN3O4 MolecularWeight: 528.08272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1)OC(=O)CC2CC(NC2=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CC(C)C1CCC(CC1)OC(=O)CC2CC(NC2=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C29H37N3O4.ClH/c1-18(2)19-7-13-26(14-8-19)36-27(33)16-23-15-24(32-29(23)34)17-35-25-11-9-21(10-12-25)20-3-5-22(6-4-20)28(30)31;/h3-6,9-12,18-19,23-24,26H,7-8,13-17H2,1-2H3,(H3,30,31)(H,32,34);1H