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

Systemtic Name: 5-chloranyl-2-[3-[methyl(phenyl)amino]propyl]-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-[3-(N-methylanilino)propyl]-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-[3-(N-methylanilino)propyl]-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-[3-(N-methylanilino)propyl]-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-[3-(N-methylanilino)propyl]-3-phenyl-isoindole-1-carboxylic acid Formula: C25H23ClN2O2 MolecularWeight: 418.91532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O2/c1-27(20-11-6-3-7-12-20)15-8-16-28-23(18-9-4-2-5-10-18)22-17-19(26)13-14-21(22)24(28)25(29)30/h2-7,9-14,17H,8,15-16H2,1H3,(H,29,30)