(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C28H30ClNO6 MolecularWeight: 511.9939

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30ClNO6/c1-2-6-21-13-26(31)35-24-15-25(23(29)14-22(21)24)36-27(32)20-11-9-18(10-12-20)16-30-28(33)34-17-19-7-4-3-5-8-19/h3-5,7-8,13-15,18,20H,2,6,9-12,16-17H2,1H3,(H,30,33)