2-aminocarbonyl-9-(1,3-benzoxazol-2-yl)-2-(5-naphthalen-2-ylpentoxymethyl)nonanoic acid

Systemtic Name: 2-aminocarbonyl-9-(1,3-benzoxazol-2-yl)-2-(5-naphthalen-2-ylpentoxymethyl)nonanoic acid Openeye Name: 9-(1,3-benzoxazol-2-yl)-2-carbamoyl-2-[5-(2-naphthyl)pentoxymethyl]nonanoic acid CAS Name: 9-(1,3-benzoxazol-2-yl)-2-carbamoyl-2-[5-(2-naphthalenyl)pentoxymethyl]nonanoic acid IUPAC Name: 9-(1,3-benzoxazol-2-yl)-2-carbamoyl-2-(5-naphthalen-2-ylpentoxymethyl)nonanoic acid Traditional Name: 9-(1,3-benzoxazol-2-yl)-2-carbamoyl-2-[5-(2-naphthyl)pentoxymethyl]pelargonic acid Formula: C33H40N2O5 MolecularWeight: 544.6811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCCCCOCC(CCCCCCCC3=NC4=CC=CC=C4O3)(C(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCCCCOCC(CCCCCCCC3=NC4=CC=CC=C4O3)(C(=O)N)C(=O)O

InChI

InChI=1S/C33H40N2O5/c34-31(36)33(32(37)38,21-11-3-1-2-6-18-30-35-28-16-9-10-17-29(28)40-30)24-39-22-12-4-5-13-25-19-20-26-14-7-8-15-27(26)23-25/h7-10,14-17,19-20,23H,1-6,11-13,18,21-22,24H2,(H2,34,36)(H,37,38)