(6-cyclohexyl-3-ethoxycarbonyl-quinolin-4-yl) 6-cyclohexyl-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate

Systemtic Name: (6-cyclohexyl-3-ethoxycarbonyl-quinolin-4-yl) 6-cyclohexyl-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: (6-cyclohexyl-3-ethoxycarbonyl-4-quinolyl) 1-benzyl-6-cyclohexyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-cyclohexyl-4-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid (6-cyclohexyl-3-ethoxycarbonyl-4-quinolinyl) ester IUPAC Name: (6-cyclohexyl-3-ethoxycarbonylquinolin-4-yl) 1-benzyl-6-cyclohexyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-6-cyclohexyl-4-keto-quinoline-3-carboxylic acid (3-carbethoxy-6-cyclohexyl-4-quinolyl) ester Formula: C41H42N2O5 MolecularWeight: 642.78258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1OC(=O)C3=CN(C4=C(C3=O)C=C(C=C4)C5CCCCC5)CC6=CC=CC=C6)C7CCCCC7

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1OC(=O)C3=CN(C4=C(C3=O)C=C(C=C4)C5CCCCC5)CC6=CC=CC=C6)C7CCCCC7

InChI

InChI=1S/C41H42N2O5/c1-2-47-40(45)34-24-42-36-20-18-30(28-14-8-4-9-15-28)22-32(36)39(34)48-41(46)35-26-43(25-27-12-6-3-7-13-27)37-21-19-31(23-33(37)38(35)44)29-16-10-5-11-17-29/h3,6-7,12-13,18-24,26,28-29H,2,4-5,8-11,14-17,25H2,1H3