methyl 11-[[4-[(11-methoxy-11-oxidanylidene-undecyl)amino]-6-[(phenylmethyl)amino]-1,3,5-triazin-2-yl]amino]undecanoate

Systemtic Name: methyl 11-[[4-[(11-methoxy-11-oxidanylidene-undecyl)amino]-6-[(phenylmethyl)amino]-1,3,5-triazin-2-yl]amino]undecanoate Openeye Name: methyl 11-[[4-(benzylamino)-6-[(11-methoxy-11-oxo-undecyl)amino]-1,3,5-triazin-2-yl]amino]undecanoate CAS Name: 11-[[4-[(11-methoxy-11-oxoundecyl)amino]-6-[(phenylmethyl)amino]-1,3,5-triazin-2-yl]amino]undecanoic acid methyl ester IUPAC Name: methyl 11-[[4-(benzylamino)-6-[(11-methoxy-11-oxoundecyl)amino]-1,3,5-triazin-2-yl]amino]undecanoate Traditional Name: 11-[[4-(benzylamino)-6-[(11-keto-11-methoxy-undecyl)amino]-s-triazin-2-yl]amino]undecanoic acid methyl ester Formula: C34H56N6O4 MolecularWeight: 612.84624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCNC1=NC(=NC(=N1)NCC2=CC=CC=C2)NCCCCCCCCCCC(=O)OC

Isomeric SMILES

COC(=O)CCCCCCCCCCNC1=NC(=NC(=N1)NCC2=CC=CC=C2)NCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C34H56N6O4/c1-43-30(41)24-18-11-7-3-5-9-13-20-26-35-32-38-33(40-34(39-32)37-28-29-22-16-15-17-23-29)36-27-21-14-10-6-4-8-12-19-25-31(42)44-2/h15-17,22-23H,3-14,18-21,24-28H2,1-2H3,(H3,35,36,37,38,39,40)