(2-isocyano-4-pentyl-phenyl) 4-(7-prop-2-enoyloxyheptyl)benzoate

Systemtic Name: (2-isocyano-4-pentyl-phenyl) 4-(7-prop-2-enoyloxyheptyl)benzoate Openeye Name: (2-isocyano-4-pentyl-phenyl) 4-(7-prop-2-enoyloxyheptyl)benzoate CAS Name: 4-[7-(1-oxoprop-2-enoxy)heptyl]benzoic acid (2-isocyano-4-pentylphenyl) ester IUPAC Name: (2-isocyano-4-pentylphenyl) 4-(7-prop-2-enoyloxyheptyl)benzoate Traditional Name: 4-(7-acryloyloxyheptyl)benzoic acid (4-amyl-2-isocyano-phenyl) ester Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCCCCOC(=O)C=C)[N+]#[C-]

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCCCCOC(=O)C=C)[N+]#[C-]

InChI

InChI=1S/C29H35NO4/c1-4-6-10-14-24-17-20-27(26(22-24)30-3)34-29(32)25-18-15-23(16-19-25)13-11-8-7-9-12-21-33-28(31)5-2/h5,15-20,22H,2,4,6-14,21H2,1H3