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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCCC(=O)NC1=CC=C(C2=CC=CC=C21)N3C(=CC(=N3)C(=O)O)C4=C(C=CC=C4OC)OC

Isomeric SMILES

CC(=O)NCCCCCC(=O)NC1=CC=C(C2=CC=CC=C21)N3C(=CC(=N3)C(=O)O)C4=C(C=CC=C4OC)OC

InChI

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