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methyl 4-[(E)-1-(diphenylphosphorylamino)hept-2-enyl]benzoate

methyl 4-[(E)-1-(diphenylphosphorylamino)hept-2-enyl]benzoate

Systemtic Name:methyl 4-[(E)-1-(diphenylphosphorylamino)hept-2-enyl]benzoate
Openeye Name:methyl 4-[(E)-1-(diphenylphosphorylamino)hept-2-enyl]benzoate
CAS Name:4-[(E)-1-(diphenylphosphorylamino)hept-2-enyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[(E)-1-(diphenylphosphorylamino)hept-2-enyl]benzoate
Traditional Name:4-[(E)-1-(diphenylphosphorylamino)hept-2-enyl]benzoic acid methyl ester
Formula: C27H30NO3P
MolecularWeight: 447.505761
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(C1=CC=C(C=C1)C(=O)OC)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3


Isomeric SMILES

CCCC/C=C/C(C1=CC=C(C=C1)C(=O)OC)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3


InChI

InChI=1S/C27H30NO3P/c1-3-4-5-12-17-26(22-18-20-23(21-19-22)27(29)31-2)28-32(30,24-13-8-6-9-14-24)25-15-10-7-11-16-25/h6-21,26H,3-5H2,1-2H3,(H,28,30)/b17-12+


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