4-[[(E)-3-[4-(1-ethoxy-1-oxidanylidene-pentan-3-yl)phenyl]-2-isocyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-[4-(1-ethoxy-1-oxidanylidene-pentan-3-yl)phenyl]-2-isocyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-[4-(3-ethoxy-1-ethyl-3-oxo-propyl)phenyl]-2-isocyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-[4-(1-ethoxy-1-oxopentan-3-yl)phenyl]-2-isocyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-[4-(1-ethoxy-1-oxopentan-3-yl)phenyl]-2-isocyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-[4-(3-ethoxy-1-ethyl-3-keto-propyl)phenyl]-2-isocyano-acryloyl]amino]benzoic acid Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OCC)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)[N+]#[C-]

Isomeric SMILES

CCC(CC(=O)OCC)C1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/[N+]#[C-]

InChI

InChI=1S/C24H24N2O5/c1-4-17(15-22(27)31-5-2)18-8-6-16(7-9-18)14-21(25-3)23(28)26-20-12-10-19(11-13-20)24(29)30/h6-14,17H,4-5,15H2,1-2H3,(H,26,28)(H,29,30)/b21-14+