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

Systemtic Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]cyclooctane-1-carboxylic acid Openeye Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cyclooctanecarboxylic acid CAS Name: 1-[[oxo-[3-[[oxo-(2,4,6-trimethylanilino)methyl]amino]-2-naphthalenyl]methyl]amino]-1-cyclooctanecarboxylic acid IUPAC Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cyclooctane-1-carboxylic acid Traditional Name: 1-[[3-(mesitylcarbamoylamino)-2-naphthoyl]amino]cyclooctanecarboxylic acid Formula: C30H35N3O4 MolecularWeight: 501.6166

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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(CCCCCCC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC4(CCCCCCC4)C(=O)O)C

InChI

InChI=1S/C30H35N3O4/c1-19-15-20(2)26(21(3)16-19)32-29(37)31-25-18-23-12-8-7-11-22(23)17-24(25)27(34)33-30(28(35)36)13-9-5-4-6-10-14-30/h7-8,11-12,15-18H,4-6,9-10,13-14H2,1-3H3,(H,33,34)(H,35,36)(H2,31,32,37)