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

Systemtic Name: 2-[3-[bis(2-methoxyethyl)amino]propyl]-5-chloranyl-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 2-[3-[bis(2-methoxyethyl)amino]propyl]-5-chloro-3-phenyl-isoindole-1-carboxylic acid CAS Name: 2-[3-[bis(2-methoxyethyl)amino]propyl]-5-chloro-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 2-[3-[bis(2-methoxyethyl)amino]propyl]-5-chloro-3-phenylisoindole-1-carboxylic acid Traditional Name: 2-[3-[bis(2-methoxyethyl)amino]propyl]-5-chloro-3-phenyl-isoindole-1-carboxylic acid Formula: C24H29ClN2O4 MolecularWeight: 444.95106

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3)CCOC

Isomeric SMILES

COCCN(CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3)CCOC

InChI

InChI=1S/C24H29ClN2O4/c1-30-15-13-26(14-16-31-2)11-6-12-27-22(18-7-4-3-5-8-18)21-17-19(25)9-10-20(21)23(27)24(28)29/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,28,29)