(4-butyl-2-oxidanylidene-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: (4-butyl-2-oxidanylidene-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (4-butyl-2-oxo-chromen-7-yl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid (4-butyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (4-butyl-2-keto-chromen-7-yl) ester Formula: C29H33NO6 MolecularWeight: 491.57542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33NO6/c1-2-3-9-23-16-27(31)36-26-17-24(14-15-25(23)26)35-28(32)22-12-10-20(11-13-22)18-30-29(33)34-19-21-7-5-4-6-8-21/h4-8,14-17,20,22H,2-3,9-13,18-19H2,1H3,(H,30,33)