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

Systemtic Name: 1-[[3-[(2,6-dimethyl-4-propyl-phenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[[3-[(2,6-dimethyl-4-propyl-phenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[[3-[[(2,6-dimethyl-4-propylanilino)-oxomethyl]amino]-2-naphthalenyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[[3-[(2,6-dimethyl-4-propylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[3-[(2,6-dimethyl-4-propyl-phenyl)carbamoylamino]-2-naphthoyl]amino]cycloheptanecarboxylic acid Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC4(CCCCCC4)C(=O)O)C

Isomeric SMILES

CCCC1=CC(=C(C(=C1)C)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC4(CCCCCC4)C(=O)O)C

InChI

InChI=1S/C31H37N3O4/c1-4-11-22-16-20(2)27(21(3)17-22)33-30(38)32-26-19-24-13-8-7-12-23(24)18-25(26)28(35)34-31(29(36)37)14-9-5-6-10-15-31/h7-8,12-13,16-19H,4-6,9-11,14-15H2,1-3H3,(H,34,35)(H,36,37)(H2,32,33,38)