(phenylmethyl) N-[(3-carbamimidoyl-4-naphthalen-2-yl-cyclohexyl)methyl]carbamate carbonate

Systemtic Name: (phenylmethyl) N-[(3-carbamimidoyl-4-naphthalen-2-yl-cyclohexyl)methyl]carbamate carbonate Openeye Name: benzyl N-[[3-carbamimidoyl-4-(2-naphthyl)cyclohexyl]methyl]carbamate carbonate CAS Name: N-[[3-carbamimidoyl-4-(2-naphthalenyl)cyclohexyl]methyl]carbamic acid (phenylmethyl) ester carbonate IUPAC Name: benzyl N-[(3-carbamimidoyl-4-naphthalen-2-ylcyclohexyl)methyl]carbamate carbonate Traditional Name: N-[[3-amidino-4-(2-naphthyl)cyclohexyl]methyl]carbamic acid benzyl ester carbonate Formula: C27H29N3O5-2 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1CNC(=O)OCC2=CC=CC=C2)C(=N)N)C3=CC4=CC=CC=C4C=C3.C(=O)([O-])[O-]

Isomeric SMILES

C1CC(C(CC1CNC(=O)OCC2=CC=CC=C2)C(=N)N)C3=CC4=CC=CC=C4C=C3.C(=O)([O-])[O-]

InChI

InChI=1S/C26H29N3O2.CH2O3/c27-25(28)24-14-19(16-29-26(30)31-17-18-6-2-1-3-7-18)10-13-23(24)22-12-11-20-8-4-5-9-21(20)15-22;2-1(3)4/h1-9,11-12,15,19,23-24H,10,13-14,16-17H2,(H3,27,28)(H,29,30);(H2,2,3,4)/p-2