4-[1-(8-tert-butyl-5,5-dimethyl-3-phenylmethoxy-6H-naphthalen-2-yl)ethylamino]benzoic acid

Systemtic Name: 4-[1-(8-tert-butyl-5,5-dimethyl-3-phenylmethoxy-6H-naphthalen-2-yl)ethylamino]benzoic acid Openeye Name: 4-[1-(3-benzyloxy-8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid CAS Name: 4-[1-(8-tert-butyl-5,5-dimethyl-3-phenylmethoxy-6H-naphthalen-2-yl)ethylamino]benzoic acid IUPAC Name: 4-[1-(8-tert-butyl-5,5-dimethyl-3-phenylmethoxy-6H-naphthalen-2-yl)ethylamino]benzoic acid Traditional Name: 4-[1-(3-benzoxy-8-tert-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid Formula: C32H37NO3 MolecularWeight: 483.64108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C2C(=C1)C(=CCC2(C)C)C(C)(C)C)OCC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C1=C(C=C2C(=C1)C(=CCC2(C)C)C(C)(C)C)OCC3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C32H37NO3/c1-21(33-24-14-12-23(13-15-24)30(34)35)25-18-26-27(31(2,3)4)16-17-32(5,6)28(26)19-29(25)36-20-22-10-8-7-9-11-22/h7-16,18-19,21,33H,17,20H2,1-6H3,(H,34,35)