3-[3-[(3,4-dimethylphenyl)methyl]-6-(dipropylamino)-2,4-bis(oxidanylidene)-1,3,5-triazin-1-yl]benzoic acid

Systemtic Name: 3-[3-[(3,4-dimethylphenyl)methyl]-6-(dipropylamino)-2,4-bis(oxidanylidene)-1,3,5-triazin-1-yl]benzoic acid Openeye Name: 3-[3-[(3,4-dimethylphenyl)methyl]-6-(dipropylamino)-2,4-dioxo-1,3,5-triazin-1-yl]benzoic acid CAS Name: 3-[3-[(3,4-dimethylphenyl)methyl]-6-(dipropylamino)-2,4-dioxo-1,3,5-triazin-1-yl]benzoic acid IUPAC Name: 3-[3-[(3,4-dimethylphenyl)methyl]-6-(dipropylamino)-2,4-dioxo-1,3,5-triazin-1-yl]benzoic acid Traditional Name: 3-[3-(3,4-dimethylbenzyl)-6-(dipropylamino)-2,4-diketo-s-triazin-1-yl]benzoic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=NC(=O)N(C(=O)N1C2=CC=CC(=C2)C(=O)O)CC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCN(CCC)C1=NC(=O)N(C(=O)N1C2=CC=CC(=C2)C(=O)O)CC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H30N4O4/c1-5-12-27(13-6-2)23-26-24(32)28(16-19-11-10-17(3)18(4)14-19)25(33)29(23)21-9-7-8-20(15-21)22(30)31/h7-11,14-15H,5-6,12-13,16H2,1-4H3,(H,30,31)