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

Systemtic Name: propyl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: propyl 2-(4-benzyloxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid propyl ester IUPAC Name: propyl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6,8-trimethyl-cinchoninic acid propyl ester Formula: C29H29NO3 MolecularWeight: 439.54546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=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/C29H29NO3/c1-5-15-32-29(31)26-21(4)28(30-27-20(3)16-19(2)17-25(26)27)23-11-13-24(14-12-23)33-18-22-9-7-6-8-10-22/h6-14,16-17H,5,15,18H2,1-4H3