4-ethyl-2-methyl-5-(2-naphthalen-1-ylhexanoylamino)-3-phenyl-benzoic acid

Systemtic Name: 4-ethyl-2-methyl-5-(2-naphthalen-1-ylhexanoylamino)-3-phenyl-benzoic acid Openeye Name: 4-ethyl-2-methyl-5-[2-(1-naphthyl)hexanoylamino]-3-phenyl-benzoic acid CAS Name: 4-ethyl-2-methyl-5-[[2-(1-naphthalenyl)-1-oxohexyl]amino]-3-phenylbenzoic acid IUPAC Name: 4-ethyl-2-methyl-5-(2-naphthalen-1-ylhexanoylamino)-3-phenylbenzoic acid Traditional Name: 4-ethyl-2-methyl-5-[2-(1-naphthyl)hexanoylamino]-3-phenyl-benzoic acid Formula: C32H33NO3 MolecularWeight: 479.60932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H33NO3/c1-4-6-17-27(26-19-12-16-22-13-10-11-18-25(22)26)31(34)33-29-20-28(32(35)36)21(3)30(24(29)5-2)23-14-8-7-9-15-23/h7-16,18-20,27H,4-6,17H2,1-3H3,(H,33,34)(H,35,36)