sodium (E)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-5-[4-[propan-2-yl(pyrimidin-2-yl)amino]phenyl]pent-4-enoate

Systemtic Name: sodium (E)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-5-[4-[propan-2-yl(pyrimidin-2-yl)amino]phenyl]pent-4-enoate Openeye Name: sodium (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-[isopropyl(pyrimidin-2-yl)amino]phenyl]pent-4-enoate CAS Name: sodium (E)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-5-[4-[propan-2-yl(2-pyrimidinyl)amino]phenyl]-4-pentenoate IUPAC Name: sodium (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-[propan-2-yl(pyrimidin-2-yl)amino]phenyl]pent-4-enoate Traditional Name: sodium (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-[isopropyl(2-pyrimidyl)amino]phenyl]pent-4-enoate Formula: C25H23Cl2N4NaO3 MolecularWeight: 521.37089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)C=CCC(C(=O)[O-])NC(=O)C2=C(C=CC=C2Cl)Cl)C3=NC=CC=N3.[Na+]

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)/C=C/CC(C(=O)[O-])NC(=O)C2=C(C=CC=C2Cl)Cl)C3=NC=CC=N3.[Na+]

InChI

InChI=1S/C25H24Cl2N4O3.Na/c1-16(2)31(25-28-14-5-15-29-25)18-12-10-17(11-13-18)6-3-9-21(24(33)34)30-23(32)22-19(26)7-4-8-20(22)27;/h3-8,10-16,21H,9H2,1-2H3,(H,30,32)(H,33,34);/q;+1/p-1/b6-3+;