4-[(5,5-dimethyl-8-propan-2-yl-3-propan-2-yloxy-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid

Systemtic Name: 4-[(5,5-dimethyl-8-propan-2-yl-3-propan-2-yloxy-6H-naphthalen-2-yl)-ethyl-amino]benzoic acid Openeye Name: 4-[ethyl-(3-isopropoxy-8-isopropyl-5,5-dimethyl-6H-naphthalen-2-yl)amino]benzoic acid CAS Name: 4-[(5,5-dimethyl-8-propan-2-yl-3-propan-2-yloxy-6H-naphthalen-2-yl)-ethylamino]benzoic acid IUPAC Name: 4-[(5,5-dimethyl-8-propan-2-yl-3-propan-2-yloxy-6H-naphthalen-2-yl)-ethylamino]benzoic acid Traditional Name: 4-[ethyl-(3-isopropoxy-8-isopropyl-5,5-dimethyl-6H-naphthalen-2-yl)amino]benzoic acid Formula: C27H35NO3 MolecularWeight: 421.5717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)O)C2=C(C=C3C(=C2)C(=CCC3(C)C)C(C)C)OC(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)O)C2=C(C=C3C(=C2)C(=CCC3(C)C)C(C)C)OC(C)C

InChI

InChI=1S/C27H35NO3/c1-8-28(20-11-9-19(10-12-20)26(29)30)24-15-22-21(17(2)3)13-14-27(6,7)23(22)16-25(24)31-18(4)5/h9-13,15-18H,8,14H2,1-7H3,(H,29,30)