5-[2-[(3-chlorophenyl)-(2-hydroxyethyl)amino]propyl]-2-(pyrimidin-4-ylmethyl)indole-1-carboxylic acid

Systemtic Name: 5-[2-[(3-chlorophenyl)-(2-hydroxyethyl)amino]propyl]-2-(pyrimidin-4-ylmethyl)indole-1-carboxylic acid Openeye Name: 5-[2-[3-chloro-N-(2-hydroxyethyl)anilino]propyl]-2-(pyrimidin-4-ylmethyl)indole-1-carboxylic acid CAS Name: 5-[2-[3-chloro-N-(2-hydroxyethyl)anilino]propyl]-2-(4-pyrimidinylmethyl)-1-indolecarboxylic acid IUPAC Name: 5-[2-[3-chloro-N-(2-hydroxyethyl)anilino]propyl]-2-(pyrimidin-4-ylmethyl)indole-1-carboxylic acid Traditional Name: 5-[2-[3-chloro-N-(2-hydroxyethyl)anilino]propyl]-2-(4-pyrimidylmethyl)indole-1-carboxylic acid Formula: C25H25ClN4O3 MolecularWeight: 464.944

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)N(C(=C2)CC3=NC=NC=C3)C(=O)O)N(CCO)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(CC1=CC2=C(C=C1)N(C(=C2)CC3=NC=NC=C3)C(=O)O)N(CCO)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H25ClN4O3/c1-17(29(9-10-31)22-4-2-3-20(26)14-22)11-18-5-6-24-19(12-18)13-23(30(24)25(32)33)15-21-7-8-27-16-28-21/h2-8,12-14,16-17,31H,9-11,15H2,1H3,(H,32,33)