2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[4-(homoveratrylamino)-s-triazin-2-yl]amino]propionic acid Formula: C25H30N6O6 MolecularWeight: 510.5423

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC(=N2)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=NC(=N2)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H30N6O6/c1-31(2)25(34)37-18-8-5-16(6-9-18)13-19(22(32)33)29-24-28-15-27-23(30-24)26-12-11-17-7-10-20(35-3)21(14-17)36-4/h5-10,14-15,19H,11-13H2,1-4H3,(H,32,33)(H2,26,27,28,29,30)