6-bromanyl-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-3,4-dihydroquinoline-2-carboxylic acid

Systemtic Name: 6-bromanyl-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-3,4-dihydroquinoline-2-carboxylic acid Openeye Name: 2-benzyl-6-bromo-1-(4-tert-butyl-3-methoxy-benzoyl)-3,4-dihydroquinoline-2-carboxylic acid CAS Name: 6-bromo-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-3,4-dihydroquinoline-2-carboxylic acid IUPAC Name: 2-benzyl-6-bromo-1-(4-tert-butyl-3-methoxybenzoyl)-3,4-dihydroquinoline-2-carboxylic acid Traditional Name: 2-benzyl-6-bromo-1-(4-tert-butyl-3-methoxy-benzoyl)-3,4-dihydroquinoline-2-carboxylic acid Formula: C29H30BrNO4 MolecularWeight: 536.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CCC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CCC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)Br)OC

InChI

InChI=1S/C29H30BrNO4/c1-28(2,3)23-12-10-21(17-25(23)35-4)26(32)31-24-13-11-22(30)16-20(24)14-15-29(31,27(33)34)18-19-8-6-5-7-9-19/h5-13,16-17H,14-15,18H2,1-4H3,(H,33,34)