[1-[(4-azanyl-6-phenyl-1,3,5-triazin-2-yl)-(hydroxymethyl)amino]-3-octoxy-3-octyl-undecan-2-yl] prop-2-enoate

Systemtic Name: [1-[(4-azanyl-6-phenyl-1,3,5-triazin-2-yl)-(hydroxymethyl)amino]-3-octoxy-3-octyl-undecan-2-yl] prop-2-enoate Openeye Name: [1-[[(4-amino-6-phenyl-1,3,5-triazin-2-yl)-(hydroxymethyl)amino]methyl]-2-octoxy-2-octyl-decyl] prop-2-enoate CAS Name: 2-propenoic acid [1-[(4-amino-6-phenyl-1,3,5-triazin-2-yl)-(hydroxymethyl)amino]-3-octoxy-3-octylundecan-2-yl] ester IUPAC Name: [1-[(4-amino-6-phenyl-1,3,5-triazin-2-yl)-(hydroxymethyl)amino]-3-octoxy-3-octylundecan-2-yl] prop-2-enoate Traditional Name: acrylic acid [1-[[(4-amino-6-phenyl-s-triazin-2-yl)-methylol-amino]methyl]-2-octoxy-2-octyl-decyl] ester Formula: C40H67N5O4 MolecularWeight: 681.99108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(C(CN(CO)C1=NC(=NC(=N1)N)C2=CC=CC=C2)OC(=O)C=C)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(C(CN(CO)C1=NC(=NC(=N1)N)C2=CC=CC=C2)OC(=O)C=C)OCCCCCCCC

InChI

InChI=1S/C40H67N5O4/c1-5-9-12-15-18-24-29-40(30-25-19-16-13-10-6-2,48-31-26-20-17-14-11-7-3)35(49-36(47)8-4)32-45(33-46)39-43-37(42-38(41)44-39)34-27-22-21-23-28-34/h8,21-23,27-28,35,46H,4-7,9-20,24-26,29-33H2,1-3H3,(H2,41,42,43,44)