ethyl 5-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanoate chloride

Systemtic Name: ethyl 5-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanoate chloride Openeye Name: ethyl 5-[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]pentanoate chloride CAS Name: 5-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]pentanoic acid ethyl ester chloride IUPAC Name: ethyl 5-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanoate chloride Traditional Name: 5-[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]valeric acid ethyl ester chloride Formula: C27H28ClN2O3- MolecularWeight: 463.97582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)CCCCC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.[Cl-]

InChI

InChI=1S/C27H28N2O3.ClH/c1-2-32-25(30)14-8-9-17-27(20-21-15-18-28-19-16-21)23-12-6-7-13-24(23)29(26(27)31)22-10-4-3-5-11-22;/h3-7,10-13,15-16,18-19H,2,8-9,14,17,20H2,1H3;1H/p-1