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

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

CC(N(CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3)C(C)OC)OC

Isomeric SMILES

CC(N(CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3)C(C)OC)OC

InChI

InChI=1S/C24H29ClN2O4/c1-16(30-3)26(17(2)31-4)13-8-14-27-22(18-9-6-5-7-10-18)21-15-19(25)11-12-20(21)23(27)24(28)29/h5-7,9-12,15-17H,8,13-14H2,1-4H3,(H,28,29)