2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(cyclohexylmethyl)pyrimidin-2-yl]carbamoyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(cyclohexylmethyl)pyrimidin-2-yl]carbamoyl]indol-1-yl]ethanoic acid Openeye Name: 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(cyclohexylmethyl)pyrimidin-2-yl]carbamoyl]indol-1-yl]acetic acid CAS Name: 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylmethyl)-2-pyrimidinyl]amino]-oxomethyl]-1-indolyl]acetic acid IUPAC Name: 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylmethyl)pyrimidin-2-yl]carbamoyl]indol-1-yl]acetic acid Traditional Name: 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(cyclohexylmethyl)pyrimidin-2-yl]carbamoyl]indol-1-yl]acetic acid Formula: C30H31ClN4O5 MolecularWeight: 563.04394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=NC(=NC=C2CC3CCCCC3)NC(=O)C4=CC5=CC=CC=C5N4CC(=O)O)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1C2=NC(=NC=C2CC3CCCCC3)NC(=O)C4=CC5=CC=CC=C5N4CC(=O)O)OC)Cl

InChI

InChI=1S/C30H31ClN4O5/c1-39-25-15-22(31)26(40-2)14-21(25)28-20(12-18-8-4-3-5-9-18)16-32-30(33-28)34-29(38)24-13-19-10-6-7-11-23(19)35(24)17-27(36)37/h6-7,10-11,13-16,18H,3-5,8-9,12,17H2,1-2H3,(H,36,37)(H,32,33,34,38)