(Z)-6-[3-[(phenylmethyl)carbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (Z)-6-[3-[(phenylmethyl)carbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-(benzylcarbamoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-(benzylcarbamoylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[3-(benzylcarbamoylamino)phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c29-24(30)14-5-4-13-23(21-11-7-15-26-18-21)20-10-6-12-22(16-20)28-25(31)27-17-19-8-2-1-3-9-19/h1-3,6-13,15-16,18H,4-5,14,17H2,(H,29,30)(H2,27,28,31)/b23-13-