butyl 2-[bis(1-phenylethyl)amino]-4H-1,3,2-benzodioxaphosphinine-4-carboxylate

Systemtic Name: butyl 2-[bis(1-phenylethyl)amino]-4H-1,3,2-benzodioxaphosphinine-4-carboxylate Openeye Name: butyl 2-[bis(1-phenylethyl)amino]-4H-1,3,2-benzodioxaphosphinine-4-carboxylate CAS Name: 2-[bis(1-phenylethyl)amino]-4H-1,3,2-benzodioxaphosphorin-4-carboxylic acid butyl ester IUPAC Name: butyl 2-[bis(1-phenylethyl)amino]-4H-1,3,2-benzodioxaphosphinine-4-carboxylate Traditional Name: 2-[bis(1-phenylethyl)amino]-4H-1,3,2-benzodioxaphosphorin-4-carboxylic acid butyl ester Formula: C28H32NO4P MolecularWeight: 477.531741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C2=CC=CC=C2OP(O1)N(C(C)C3=CC=CC=C3)C(C)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1C2=CC=CC=C2OP(O1)N(C(C)C3=CC=CC=C3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C28H32NO4P/c1-4-5-20-31-28(30)27-25-18-12-13-19-26(25)32-34(33-27)29(21(2)23-14-8-6-9-15-23)22(3)24-16-10-7-11-17-24/h6-19,21-22,27H,4-5,20H2,1-3H3