tert-butyl carbamate; 2,4-dimethyl-5-(2-naphthalen-1-ylpentanoyl)-3-phenyl-benzoic acid

Systemtic Name: tert-butyl carbamate; 2,4-dimethyl-5-(2-naphthalen-1-ylpentanoyl)-3-phenyl-benzoic acid Openeye Name: tert-butyl carbamate; 2,4-dimethyl-5-[2-(1-naphthyl)pentanoyl]-3-phenyl-benzoic acid CAS Name: carbamic acid tert-butyl ester; 2,4-dimethyl-5-[2-(1-naphthalenyl)-1-oxopentyl]-3-phenylbenzoic acid IUPAC Name: tert-butyl carbamate; 2,4-dimethyl-5-(2-naphthalen-1-ylpentanoyl)-3-phenylbenzoic acid Traditional Name: carbamic acid tert-butyl ester; 2,4-dimethyl-5-[2-(1-naphthyl)pentanoyl]-3-phenyl-benzoic acid Formula: C35H39NO5 MolecularWeight: 553.68786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC(=C(C(=C3C)C4=CC=CC=C4)C)C(=O)O.CC(C)(C)OC(=O)N

Isomeric SMILES

CCCC(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC(=C(C(=C3C)C4=CC=CC=C4)C)C(=O)O.CC(C)(C)OC(=O)N

InChI

InChI=1S/C30H28O3.C5H11NO2/c1-4-11-25(24-17-10-15-21-12-8-9-16-23(21)24)29(31)26-18-27(30(32)33)20(3)28(19(26)2)22-13-6-5-7-14-22;1-5(2,3)8-4(6)7/h5-10,12-18,25H,4,11H2,1-3H3,(H,32,33);1-3H3,(H2,6,7)