2,4-dimethyl-5-(2-naphthalen-1-ylpentanoylamino)-3-phenyl-benzoic acid

Systemtic Name: 2,4-dimethyl-5-(2-naphthalen-1-ylpentanoylamino)-3-phenyl-benzoic acid Openeye Name: 2,4-dimethyl-5-[2-(1-naphthyl)pentanoylamino]-3-phenyl-benzoic acid CAS Name: 2,4-dimethyl-5-[[2-(1-naphthalenyl)-1-oxopentyl]amino]-3-phenylbenzoic acid IUPAC Name: 2,4-dimethyl-5-(2-naphthalen-1-ylpentanoylamino)-3-phenylbenzoic acid Traditional Name: 2,4-dimethyl-5-[2-(1-naphthyl)pentanoylamino]-3-phenyl-benzoic acid Formula: C30H29NO3 MolecularWeight: 451.55616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C(=C(C(=C3)C(=O)O)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C(=C(C(=C3)C(=O)O)C)C4=CC=CC=C4)C

InChI

InChI=1S/C30H29NO3/c1-4-11-25(24-17-10-15-21-12-8-9-16-23(21)24)29(32)31-27-18-26(30(33)34)19(2)28(20(27)3)22-13-6-5-7-14-22/h5-10,12-18,25H,4,11H2,1-3H3,(H,31,32)(H,33,34)