phenacyl 2-(5-tert-butyl-2,3-dimethyl-phenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(5-tert-butyl-2,3-dimethyl-phenyl)quinoline-4-carboxylate Openeye Name: phenacyl 2-(5-tert-butyl-2,3-dimethyl-phenyl)quinoline-4-carboxylate CAS Name: 2-(5-tert-butyl-2,3-dimethylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(5-tert-butyl-2,3-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(5-tert-butyl-2,3-dimethyl-phenyl)cinchoninic acid phenacyl ester Formula: C30H29NO3 MolecularWeight: 451.55616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C30H29NO3/c1-19-15-22(30(3,4)5)16-24(20(19)2)27-17-25(23-13-9-10-14-26(23)31-27)29(33)34-18-28(32)21-11-7-6-8-12-21/h6-17H,18H2,1-5H3