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

Systemtic Name: 5-chloranyl-2-[3-(ethylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-[3-(ethylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-[3-(ethylamino)propyl]-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-[3-(ethylamino)propyl]-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-[3-(ethylamino)propyl]-3-phenyl-isoindole-1-carboxylic acid Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CCNCCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN2O2/c1-2-22-11-6-12-23-18(14-7-4-3-5-8-14)17-13-15(21)9-10-16(17)19(23)20(24)25/h3-5,7-10,13,22H,2,6,11-12H2,1H3,(H,24,25)