4-[[6-chloranyl-1-[(2,4-dimethoxypyrimidin-5-yl)-phenyl-methyl]indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-chloranyl-1-[(2,4-dimethoxypyrimidin-5-yl)-phenyl-methyl]indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-chloro-1-[(2,4-dimethoxypyrimidin-5-yl)-phenyl-methyl]indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-chloro-1-[(2,4-dimethoxy-5-pyrimidinyl)-phenylmethyl]-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-chloro-1-[(2,4-dimethoxypyrimidin-5-yl)-phenylmethyl]indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-chloro-1-[(2,4-dimethoxypyrimidin-5-yl)-phenyl-methyl]indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C30H26ClN3O5 MolecularWeight: 543.99754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=CC(=C3)Cl)C(C4=CC=CC=C4)C5=CN=C(N=C5OC)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=CC(=C3)Cl)C(C4=CC=CC=C4)C5=CN=C(N=C5OC)OC

InChI

InChI=1S/C30H26ClN3O5/c1-37-26-14-20(29(35)36)10-9-19(26)13-21-17-34(25-15-22(31)11-12-23(21)25)27(18-7-5-4-6-8-18)24-16-32-30(39-3)33-28(24)38-2/h4-12,14-17,27H,13H2,1-3H3,(H,35,36)