2-aminocarbonyl-7-naphthalen-2-yl-2-[5-(4-nitrophenyl)pentoxymethyl]heptanoic acid

Systemtic Name: 2-aminocarbonyl-7-naphthalen-2-yl-2-[5-(4-nitrophenyl)pentoxymethyl]heptanoic acid Openeye Name: 2-carbamoyl-7-(2-naphthyl)-2-[5-(4-nitrophenyl)pentoxymethyl]heptanoic acid CAS Name: 2-carbamoyl-7-(2-naphthalenyl)-2-[5-(4-nitrophenyl)pentoxymethyl]heptanoic acid IUPAC Name: 2-carbamoyl-7-naphthalen-2-yl-2-[5-(4-nitrophenyl)pentoxymethyl]heptanoic acid Traditional Name: 2-carbamoyl-7-(2-naphthyl)-2-[5-(4-nitrophenyl)pentoxymethyl]enanthic acid Formula: C30H36N2O6 MolecularWeight: 520.61664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCCCCC(COCCCCCC3=CC=C(C=C3)[N+](=O)[O-])(C(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCCCCC(COCCCCCC3=CC=C(C=C3)[N+](=O)[O-])(C(=O)N)C(=O)O

InChI

InChI=1S/C30H36N2O6/c31-28(33)30(29(34)35,19-7-1-3-10-24-13-16-25-11-5-6-12-26(25)21-24)22-38-20-8-2-4-9-23-14-17-27(18-15-23)32(36)37/h5-6,11-18,21H,1-4,7-10,19-20,22H2,(H2,31,33)(H,34,35)