5-chloranyl-2-[3,3-dimethyl-5-(pentylamino)pentyl]-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-[3,3-dimethyl-5-(pentylamino)pentyl]-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-[3,3-dimethyl-5-(pentylamino)pentyl]-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-[3,3-dimethyl-5-(pentylamino)pentyl]-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-[3,3-dimethyl-5-(pentylamino)pentyl]-3-phenylisoindole-1-carboxylic acid Traditional Name: 2-[5-(amylamino)-3,3-dimethyl-pentyl]-5-chloro-3-phenyl-isoindole-1-carboxylic acid Formula: C27H35ClN2O2 MolecularWeight: 455.032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCCC(C)(C)CCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCNCCC(C)(C)CCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C27H35ClN2O2/c1-4-5-9-16-29-17-14-27(2,3)15-18-30-24(20-10-7-6-8-11-20)23-19-21(28)12-13-22(23)25(30)26(31)32/h6-8,10-13,19,29H,4-5,9,14-18H2,1-3H3,(H,31,32)