8-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]naphthalene-2-carboxylic acid

Systemtic Name: 8-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]naphthalene-2-carboxylic acid Openeye Name: 8-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]naphthalene-2-carboxylic acid CAS Name: 8-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-2-naphthalenecarboxylic acid IUPAC Name: 8-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]naphthalene-2-carboxylic acid Traditional Name: 8-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-2-naphthoic acid Formula: C25H27NO3 MolecularWeight: 389.48678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=CC=CC3=C2C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=CC=CC3=C2C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C25H27NO3/c1-15(2)10-23(20-12-16(3)11-17(4)13-20)26-24(27)21-7-5-6-18-8-9-19(25(28)29)14-22(18)21/h5-9,11-15,23H,10H2,1-4H3,(H,26,27)(H,28,29)