(5-methyl-2-propan-2-yl-cyclohexyl) 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]-4-piperidyl]acetate CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[4-(4-amidinophenyl)benzoyl]-4-piperidyl]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C31H41N3O3 MolecularWeight: 503.67554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N)C(C)C

InChI

InChI=1S/C31H41N3O3/c1-20(2)27-13-4-21(3)18-28(27)37-29(35)19-22-14-16-34(17-15-22)31(36)26-11-7-24(8-12-26)23-5-9-25(10-6-23)30(32)33/h5-12,20-22,27-28H,4,13-19H2,1-3H3,(H3,32,33)