3-[(3,4-dichlorophenyl)methyl-[4-(2,3-dihydroindol-1-yl)-6-[(2-methoxyphenyl)carbamoylamino]-1,3,5-triazin-2-yl]amino]propanoic acid

Systemtic Name: 3-[(3,4-dichlorophenyl)methyl-[4-(2,3-dihydroindol-1-yl)-6-[(2-methoxyphenyl)carbamoylamino]-1,3,5-triazin-2-yl]amino]propanoic acid Openeye Name: 3-[(3,4-dichlorophenyl)methyl-[4-indolin-1-yl-6-[(2-methoxyphenyl)carbamoylamino]-1,3,5-triazin-2-yl]amino]propanoic acid CAS Name: 3-[(3,4-dichlorophenyl)methyl-[4-(2,3-dihydroindol-1-yl)-6-[[(2-methoxyanilino)-oxomethyl]amino]-1,3,5-triazin-2-yl]amino]propanoic acid IUPAC Name: 3-[(3,4-dichlorophenyl)methyl-[4-(2,3-dihydroindol-1-yl)-6-[(2-methoxyphenyl)carbamoylamino]-1,3,5-triazin-2-yl]amino]propanoic acid Traditional Name: 3-[(3,4-dichlorobenzyl)-[4-indolin-1-yl-6-[(2-methoxyphenyl)carbamoylamino]-s-triazin-2-yl]amino]propionic acid Formula: C29H27Cl2N7O4 MolecularWeight: 608.47518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NC2=NC(=NC(=N2)N3CCC4=CC=CC=C43)N(CCC(=O)O)CC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NC2=NC(=NC(=N2)N3CCC4=CC=CC=C43)N(CCC(=O)O)CC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H27Cl2N7O4/c1-42-24-9-5-3-7-22(24)32-29(41)35-26-33-27(36-28(34-26)38-15-12-19-6-2-4-8-23(19)38)37(14-13-25(39)40)17-18-10-11-20(30)21(31)16-18/h2-11,16H,12-15,17H2,1H3,(H,39,40)(H2,32,33,34,35,36,41)