2-[3-(3-bromanyldodecan-5-ylcarbamoyl)-6-phenyl-2-(trifluoromethyl)phenoxy]ethylcarbamic acid

Systemtic Name: 2-[3-(3-bromanyldodecan-5-ylcarbamoyl)-6-phenyl-2-(trifluoromethyl)phenoxy]ethylcarbamic acid Openeye Name: 2-[3-[1-(2-bromobutyl)octylcarbamoyl]-6-phenyl-2-(trifluoromethyl)phenoxy]ethylcarbamic acid CAS Name: 2-[3-[(3-bromododecan-5-ylamino)-oxomethyl]-6-phenyl-2-(trifluoromethyl)phenoxy]ethylcarbamic acid IUPAC Name: 2-[3-(3-bromododecan-5-ylcarbamoyl)-6-phenyl-2-(trifluoromethyl)phenoxy]ethylcarbamic acid Traditional Name: 2-[3-[1-(2-bromobutyl)octylcarbamoyl]-6-phenyl-2-(trifluoromethyl)phenoxy]ethylcarbamic acid Formula: C29H38BrF3N2O4 MolecularWeight: 615.52223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(CC)Br)NC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2)OCCNC(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCC(CC(CC)Br)NC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2)OCCNC(=O)O)C(F)(F)F

InChI

InChI=1S/C29H38BrF3N2O4/c1-3-5-6-7-11-14-22(19-21(30)4-2)35-27(36)24-16-15-23(20-12-9-8-10-13-20)26(25(24)29(31,32)33)39-18-17-34-28(37)38/h8-10,12-13,15-16,21-22,34H,3-7,11,14,17-19H2,1-2H3,(H,35,36)(H,37,38)