3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-4-ethoxy-phenyl]propanoic acid

Systemtic Name: 3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-4-ethoxy-phenyl]propanoic acid Openeye Name: 3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[3-[2,2-dimethylpropanoyl(isobutyl)amino]-4-ethoxy-phenyl]propanoic acid CAS Name: 3-[4-[[(3,5-dichloro-4-pyridinyl)-oxomethyl]amino]phenyl]-2-[3-[(2,2-dimethyl-1-oxopropyl)-(2-methylpropyl)amino]-4-ethoxyphenyl]propanoic acid IUPAC Name: 3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-4-ethoxyphenyl]propanoic acid Traditional Name: 3-[4-[(3,5-dichloroisonicotinoyl)amino]phenyl]-2-[4-ethoxy-3-[isobutyl(pivaloyl)amino]phenyl]propionic acid Formula: C32H37Cl2N3O5 MolecularWeight: 614.55928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)C(=O)O)N(CC(C)C)C(=O)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)C(=O)O)N(CC(C)C)C(=O)C(C)(C)C

InChI

InChI=1S/C32H37Cl2N3O5/c1-7-42-27-13-10-21(15-26(27)37(18-19(2)3)31(41)32(4,5)6)23(30(39)40)14-20-8-11-22(12-9-20)36-29(38)28-24(33)16-35-17-25(28)34/h8-13,15-17,19,23H,7,14,18H2,1-6H3,(H,36,38)(H,39,40)