2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-chloranyl-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-chloranyl-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-chloro-3-phenyl-isoindole-1-carboxylic acid CAS Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-chloro-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-chloro-3-phenylisoindole-1-carboxylic acid Traditional Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-chloro-3-phenyl-isoindole-1-carboxylic acid Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C(N2CCCN(CCO)CCO)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C(N2CCCN(CCO)CCO)C(=O)O)Cl

InChI

InChI=1S/C22H25ClN2O4/c23-17-7-8-18-19(15-17)20(16-5-2-1-3-6-16)25(21(18)22(28)29)10-4-9-24(11-13-26)12-14-27/h1-3,5-8,15,26-27H,4,9-14H2,(H,28,29)