2-aminocarbonyl-8-(1,3-benzoxazol-2-yl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid

Systemtic Name: 2-aminocarbonyl-8-(1,3-benzoxazol-2-yl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid Openeye Name: 8-(1,3-benzoxazol-2-yl)-2-carbamoyl-2-[5-(2-naphthyl)pentoxymethyl]octanoic acid CAS Name: 8-(1,3-benzoxazol-2-yl)-2-carbamoyl-2-[5-(2-naphthalenyl)pentoxymethyl]octanoic acid IUPAC Name: 8-(1,3-benzoxazol-2-yl)-2-carbamoyl-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid Traditional Name: 8-(1,3-benzoxazol-2-yl)-2-carbamoyl-2-[5-(2-naphthyl)pentoxymethyl]caprylic acid Formula: C32H38N2O5 MolecularWeight: 530.65452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCCCCOCC(CCCCCCC3=NC4=CC=CC=C4O3)(C(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCCCCOCC(CCCCCCC3=NC4=CC=CC=C4O3)(C(=O)N)C(=O)O

InChI

InChI=1S/C32H38N2O5/c33-30(35)32(31(36)37,20-10-2-1-5-17-29-34-27-15-8-9-16-28(27)39-29)23-38-21-11-3-4-12-24-18-19-25-13-6-7-14-26(25)22-24/h6-9,13-16,18-19,22H,1-5,10-12,17,20-21,23H2,(H2,33,35)(H,36,37)