(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: (7-methyl-2-oxo-4-propyl-chromen-5-yl) 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid (7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl) ester IUPAC Name: (7-methyl-2-oxo-4-propylchromen-5-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid (2-keto-7-methyl-4-propyl-chromen-5-yl) ester Formula: C29H33NO6 MolecularWeight: 491.57542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

InChI

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