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

Systemtic Name: (E)-6-[3-[(4-tert-butylphenyl)carbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[3-[(4-tert-butylphenyl)carbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[3-[[(4-tert-butylanilino)-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[3-[(4-tert-butylphenyl)carbamoylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[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(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O3/c1-28(2,3)22-13-15-23(16-14-22)30-27(34)31-24-10-6-8-20(18-24)25(11-4-5-12-26(32)33)21-9-7-17-29-19-21/h6-11,13-19H,4-5,12H2,1-3H3,(H,32,33)(H2,30,31,34)/b25-11+