(E)-2-[3-[(4-tert-butylphenyl)carbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-2-[3-[(4-tert-butylphenyl)carbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[3-[(4-tert-butylphenyl)carbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[3-[[(4-tert-butylanilino)-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[3-[(4-tert-butylphenyl)carbamoylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[3-[(4-tert-butylphenyl)carbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(CCC=CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(CC/C=C/C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C28H31N3O3/c1-28(2,3)22-13-15-23(16-14-22)30-27(34)31-24-11-6-10-21(18-24)25(26(32)33)12-5-4-8-20-9-7-17-29-19-20/h4,6-11,13-19,25H,5,12H2,1-3H3,(H,32,33)(H2,30,31,34)/b8-4+