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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(C)C)C

InChI

InChI=1S/C30H31NO3/c1-19(2)17-34-30(32)27-22(5)29(31-28-21(4)15-20(3)16-26(27)28)24-11-13-25(14-12-24)33-18-23-9-7-6-8-10-23/h6-16,19H,17-18H2,1-5H3