2-[[4-chloranyl-6-[1-phenylethyl-(phenylmethyl)amino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: 2-[[4-chloranyl-6-[1-phenylethyl-(phenylmethyl)amino]-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[4-[benzyl(1-phenylethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[[4-chloro-6-[1-phenylethyl-(phenylmethyl)amino]-1,3,5-triazin-2-yl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[4-[benzyl(1-phenylethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[4-[benzyl(1-phenylethyl)amino]-6-chloro-s-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C30H31ClN6O4 MolecularWeight: 575.05794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C3=NC(=NC(=N3)NC(CC4=CC=C(C=C4)OC(=O)N(C)C)C(=O)O)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C3=NC(=NC(=N3)NC(CC4=CC=C(C=C4)OC(=O)N(C)C)C(=O)O)Cl

InChI

InChI=1S/C30H31ClN6O4/c1-20(23-12-8-5-9-13-23)37(19-22-10-6-4-7-11-22)29-34-27(31)33-28(35-29)32-25(26(38)39)18-21-14-16-24(17-15-21)41-30(40)36(2)3/h4-17,20,25H,18-19H2,1-3H3,(H,38,39)(H,32,33,34,35)