4-[ethyl-(3,8,8-trimethyl-5-propan-2-yl-7H-naphthalen-2-yl)amino]benzoic acid

Systemtic Name: 4-[ethyl-(3,8,8-trimethyl-5-propan-2-yl-7H-naphthalen-2-yl)amino]benzoic acid Openeye Name: 4-[ethyl-(5-isopropyl-3,8,8-trimethyl-7H-naphthalen-2-yl)amino]benzoic acid CAS Name: 4-[ethyl-(3,8,8-trimethyl-5-propan-2-yl-7H-naphthalen-2-yl)amino]benzoic acid IUPAC Name: 4-[ethyl-(3,8,8-trimethyl-5-propan-2-yl-7H-naphthalen-2-yl)amino]benzoic acid Traditional Name: 4-[ethyl-(5-isopropyl-3,8,8-trimethyl-7H-naphthalen-2-yl)amino]benzoic acid Formula: C25H31NO2 MolecularWeight: 377.51914

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(=CCC(C3=C2)(C)C)C(C)C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)O)C2=C(C=C3C(=CCC(C3=C2)(C)C)C(C)C)C

InChI

InChI=1S/C25H31NO2/c1-7-26(19-10-8-18(9-11-19)24(27)28)23-15-22-21(14-17(23)4)20(16(2)3)12-13-25(22,5)6/h8-12,14-16H,7,13H2,1-6H3,(H,27,28)