4-[3-[(4-bromophenyl)methyl]-6-[ethyl-(phenylmethyl)amino]-2,4-bis(oxidanylidene)-1,3,5-triazin-1-yl]benzoic acid

Systemtic Name: 4-[3-[(4-bromophenyl)methyl]-6-[ethyl-(phenylmethyl)amino]-2,4-bis(oxidanylidene)-1,3,5-triazin-1-yl]benzoic acid Openeye Name: 4-[6-[benzyl(ethyl)amino]-3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3,5-triazin-1-yl]benzoic acid CAS Name: 4-[3-[(4-bromophenyl)methyl]-6-[ethyl-(phenylmethyl)amino]-2,4-dioxo-1,3,5-triazin-1-yl]benzoic acid IUPAC Name: 4-[6-[benzyl(ethyl)amino]-3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3,5-triazin-1-yl]benzoic acid Traditional Name: 4-[6-[benzyl(ethyl)amino]-3-(4-bromobenzyl)-2,4-diketo-s-triazin-1-yl]benzoic acid Formula: C26H23BrN4O4 MolecularWeight: 535.38922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=NC(=O)N(C(=O)N2C3=CC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)Br

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=NC(=O)N(C(=O)N2C3=CC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H23BrN4O4/c1-2-29(16-18-6-4-3-5-7-18)24-28-25(34)30(17-19-8-12-21(27)13-9-19)26(35)31(24)22-14-10-20(11-15-22)23(32)33/h3-15H,2,16-17H2,1H3,(H,32,33)