2-[2-[(4-tert-butylphenyl)-ethyl-carbamoyl]-3-chloranyl-5-propan-2-yl-phenoxy]ethyl-pyridin-4-yl-carbamic acid

Systemtic Name: 2-[2-[(4-tert-butylphenyl)-ethyl-carbamoyl]-3-chloranyl-5-propan-2-yl-phenoxy]ethyl-pyridin-4-yl-carbamic acid Openeye Name: 2-[2-[(4-tert-butylphenyl)-ethyl-carbamoyl]-3-chloro-5-isopropyl-phenoxy]ethyl-(4-pyridyl)carbamic acid CAS Name: 2-[2-[(4-tert-butyl-N-ethylanilino)-oxomethyl]-3-chloro-5-propan-2-ylphenoxy]ethyl-pyridin-4-ylcarbamic acid IUPAC Name: 2-[2-[(4-tert-butylphenyl)-ethylcarbamoyl]-3-chloro-5-propan-2-ylphenoxy]ethyl-pyridin-4-ylcarbamic acid Traditional Name: 2-[2-[(4-tert-butylphenyl)-ethyl-carbamoyl]-3-chloro-5-isopropyl-phenoxy]ethyl-(4-pyridyl)carbamic acid Formula: C30H36ClN3O4 MolecularWeight: 538.07754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(C)(C)C)C(=O)C2=C(C=C(C=C2Cl)C(C)C)OCCN(C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(C)(C)C)C(=O)C2=C(C=C(C=C2Cl)C(C)C)OCCN(C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C30H36ClN3O4/c1-7-33(23-10-8-22(9-11-23)30(4,5)6)28(35)27-25(31)18-21(20(2)3)19-26(27)38-17-16-34(29(36)37)24-12-14-32-15-13-24/h8-15,18-20H,7,16-17H2,1-6H3,(H,36,37)