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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(phenylmethyl)-3,4-dihydroquinoline-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-3,4-dihydroquinoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(phenylmethyl)-3,4-dihydroquinoline-2-carboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-3,4-dihydroquinoline-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-3,4-dihydroquinoline-2-carboxylic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3CCC2(CC4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3CCC2(CC4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C29H31NO4/c1-28(2,3)23-15-14-22(18-25(23)34-4)26(31)30-24-13-9-8-12-21(24)16-17-29(30,27(32)33)19-20-10-6-5-7-11-20/h5-15,18H,16-17,19H2,1-4H3,(H,32,33)