butyl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: butyl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: butyl 2-(4-benzyloxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid butyl ester IUPAC Name: butyl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6,8-trimethyl-cinchoninic acid butyl ester Formula: C30H31NO3 MolecularWeight: 453.57204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC(=O)C1=C(C(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C30H31NO3/c1-5-6-16-33-30(32)27-22(4)29(31-28-21(3)17-20(2)18-26(27)28)24-12-14-25(15-13-24)34-19-23-10-8-7-9-11-23/h7-15,17-18H,5-6,16,19H2,1-4H3