3-[[2-(3-aminocarbonyl-4-oxidanyl-naphthalen-1-yl)oxy-5-nitro-phenyl]-dodecyl-carbamoyl]sulfanylpropanoic acid

Systemtic Name: 3-[[2-(3-aminocarbonyl-4-oxidanyl-naphthalen-1-yl)oxy-5-nitro-phenyl]-dodecyl-carbamoyl]sulfanylpropanoic acid Openeye Name: 3-[[2-[(3-carbamoyl-4-hydroxy-1-naphthyl)oxy]-5-nitro-phenyl]-dodecyl-carbamoyl]sulfanylpropanoic acid CAS Name: 3-[[[2-[(3-carbamoyl-4-hydroxy-1-naphthalenyl)oxy]-N-dodecyl-5-nitroanilino]-oxomethyl]thio]propanoic acid IUPAC Name: 3-[[2-(3-carbamoyl-4-hydroxynaphthalen-1-yl)oxy-5-nitrophenyl]-dodecylcarbamoyl]sulfanylpropanoic acid Traditional Name: 3-[[[2-(3-carbamoyl-4-hydroxy-1-naphthoxy)-5-nitro-phenyl]-lauryl-carbamoyl]thio]propionic acid Formula: C33H41N3O8S MolecularWeight: 639.75894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC(=C(C3=CC=CC=C32)O)C(=O)N)C(=O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC(=C(C3=CC=CC=C32)O)C(=O)N)C(=O)SCCC(=O)O

InChI

InChI=1S/C33H41N3O8S/c1-2-3-4-5-6-7-8-9-10-13-19-35(33(41)45-20-18-30(37)38)27-21-23(36(42)43)16-17-28(27)44-29-22-26(32(34)40)31(39)25-15-12-11-14-24(25)29/h11-12,14-17,21-22,39H,2-10,13,18-20H2,1H3,(H2,34,40)(H,37,38)