ethyl 4-[bis(3-oxidanylpropyl)amino]benzoate; 2-ethylhexyl 2-cyano-3,3-diphenyl-prop-2-enoate

Systemtic Name: ethyl 4-[bis(3-oxidanylpropyl)amino]benzoate; 2-ethylhexyl 2-cyano-3,3-diphenyl-prop-2-enoate Openeye Name: ethyl 4-[bis(3-hydroxypropyl)amino]benzoate; 2-ethylhexyl 2-cyano-3,3-diphenyl-prop-2-enoate CAS Name: 4-[bis(3-hydroxypropyl)amino]benzoic acid ethyl ester; 2-cyano-3,3-diphenyl-2-propenoic acid 2-ethylhexyl ester IUPAC Name: ethyl 4-[bis(3-hydroxypropyl)amino]benzoate; 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate Traditional Name: 4-[bis(3-hydroxypropyl)amino]benzoic acid ethyl ester; 2-cyano-3,3-diphenyl-acrylic acid 2-ethylhexyl ester Formula: C39H50N2O6 MolecularWeight: 642.8241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N.CCOC(=O)C1=CC=C(C=C1)N(CCCO)CCCO

Isomeric SMILES

CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N.CCOC(=O)C1=CC=C(C=C1)N(CCCO)CCCO

InChI

InChI=1S/C24H27NO2.C15H23NO4/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21;1-2-20-15(19)13-5-7-14(8-6-13)16(9-3-11-17)10-4-12-18/h6-11,13-16,19H,3-5,12,18H2,1-2H3;5-8,17-18H,2-4,9-12H2,1H3