4-(6-acetamidohexanoylamino)-5-(2,6-dimethoxyphenyl)-1-naphthalen-1-yl-pyrazole-3-carboxylic acid

Systemtic Name: 4-(6-acetamidohexanoylamino)-5-(2,6-dimethoxyphenyl)-1-naphthalen-1-yl-pyrazole-3-carboxylic acid Openeye Name: 4-(6-acetamidohexanoylamino)-5-(2,6-dimethoxyphenyl)-1-(1-naphthyl)pyrazole-3-carboxylic acid CAS Name: 4-[(6-acetamido-1-oxohexyl)amino]-5-(2,6-dimethoxyphenyl)-1-(1-naphthalenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(6-acetamidohexanoylamino)-5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid Traditional Name: 4-(6-acetamidohexanoylamino)-5-(2,6-dimethoxyphenyl)-1-(1-naphthyl)pyrazole-3-carboxylic acid Formula: C30H32N4O6 MolecularWeight: 544.59828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCCC(=O)NC1=C(N(N=C1C(=O)O)C2=CC=CC3=CC=CC=C32)C4=C(C=CC=C4OC)OC

Isomeric SMILES

CC(=O)NCCCCCC(=O)NC1=C(N(N=C1C(=O)O)C2=CC=CC3=CC=CC=C32)C4=C(C=CC=C4OC)OC

InChI

InChI=1S/C30H32N4O6/c1-19(35)31-18-8-4-5-17-25(36)32-27-28(30(37)38)33-34(22-14-9-12-20-11-6-7-13-21(20)22)29(27)26-23(39-2)15-10-16-24(26)40-3/h6-7,9-16H,4-5,8,17-18H2,1-3H3,(H,31,35)(H,32,36)(H,37,38)