(6-carbamimidoylnaphthalen-2-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (6-amidino-2-naphthyl) ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C27H29N3O4/c28-25(29)23-11-10-22-15-24(13-12-21(22)14-23)34-26(31)20-8-6-18(7-9-20)16-30-27(32)33-17-19-4-2-1-3-5-19/h1-5,10-15,18,20H,6-9,16-17H2,(H3,28,29)(H,30,32)