(2-oxidanylidenechromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (2-oxochromen-7-yl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (2-ketochromen-7-yl) ester Formula: C25H25NO6 MolecularWeight: 435.4691

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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=CC(=O)O4

Isomeric SMILES

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C25H25NO6/c27-23-13-11-19-10-12-21(14-22(19)32-23)31-24(28)20-8-6-17(7-9-20)15-26-25(29)30-16-18-4-2-1-3-5-18/h1-5,10-14,17,20H,6-9,15-16H2,(H,26,29)