6-tert-butyl-4-(3-methoxy-4-phenylmethoxy-phenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Systemtic Name: 6-tert-butyl-4-(3-methoxy-4-phenylmethoxy-phenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 4-(4-benzyloxy-3-methoxy-phenyl)-6-tert-butyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 6-tert-butyl-4-(3-methoxy-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 6-tert-butyl-4-(3-methoxy-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-6-tert-butyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(CC2C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(CC2C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-28(2,3)20-11-12-23-22(15-20)21(16-24(29-23)27(30)31)19-10-13-25(26(14-19)32-4)33-17-18-8-6-5-7-9-18/h5-15,21,24,29H,16-17H2,1-4H3,(H,30,31)