1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]cyclodecane-1-carboxylic acid

Systemtic Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]cyclodecane-1-carboxylic acid Openeye Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cyclodecanecarboxylic acid CAS Name: 1-[[oxo-[3-[[oxo-(2,4,6-trimethylanilino)methyl]amino]-2-naphthalenyl]methyl]amino]-1-cyclodecanecarboxylic acid IUPAC Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cyclodecane-1-carboxylic acid Traditional Name: 1-[[3-(mesitylcarbamoylamino)-2-naphthoyl]amino]cyclodecanecarboxylic acid Formula: C32H39N3O4 MolecularWeight: 529.66976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC4(CCCCCCCCC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC4(CCCCCCCCC4)C(=O)O)C

InChI

InChI=1S/C32H39N3O4/c1-21-17-22(2)28(23(3)18-21)34-31(39)33-27-20-25-14-10-9-13-24(25)19-26(27)29(36)35-32(30(37)38)15-11-7-5-4-6-8-12-16-32/h9-10,13-14,17-20H,4-8,11-12,15-16H2,1-3H3,(H,35,36)(H,37,38)(H2,33,34,39)