4-[(8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-yl)-ethyl-amino]benzoic acid

Systemtic Name: 4-[(8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-yl)-ethyl-amino]benzoic acid Openeye Name: 4-[ethyl-(5-isopropyl-8,8-dimethyl-7H-naphthalen-2-yl)amino]benzoic acid CAS Name: 4-[(8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-yl)-ethylamino]benzoic acid IUPAC Name: 4-[(8,8-dimethyl-5-propan-2-yl-7H-naphthalen-2-yl)-ethylamino]benzoic acid Traditional Name: 4-[ethyl-(5-isopropyl-8,8-dimethyl-7H-naphthalen-2-yl)amino]benzoic acid Formula: C24H29NO2 MolecularWeight: 363.49256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(=CCC3(C)C)C(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(=CCC3(C)C)C(C)C

InChI

InChI=1S/C24H29NO2/c1-6-25(18-9-7-17(8-10-18)23(26)27)19-11-12-21-20(16(2)3)13-14-24(4,5)22(21)15-19/h7-13,15-16H,6,14H2,1-5H3,(H,26,27)