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

Systemtic Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[oxo-[3-[[oxo-(2,4,6-trimethylanilino)methyl]amino]-2-naphthalenyl]methyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[3-(mesitylcarbamoylamino)-2-naphthoyl]amino]cycloheptanecarboxylic acid Formula: C29H33N3O4 MolecularWeight: 487.59002

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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(CCCCCC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC4(CCCCCC4)C(=O)O)C

InChI

InChI=1S/C29H33N3O4/c1-18-14-19(2)25(20(3)15-18)31-28(36)30-24-17-22-11-7-6-10-21(22)16-23(24)26(33)32-29(27(34)35)12-8-4-5-9-13-29/h6-7,10-11,14-17H,4-5,8-9,12-13H2,1-3H3,(H,32,33)(H,34,35)(H2,30,31,36)