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

Systemtic Name: ethyl 4-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]butanoate chloride Openeye Name: ethyl 4-[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]butanoate chloride CAS Name: 4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]butanoic acid ethyl ester chloride IUPAC Name: ethyl 4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]butanoate chloride Traditional Name: 4-[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]butyric acid ethyl ester chloride Formula: C26H26ClN2O3- MolecularWeight: 449.94924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)CCCC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.[Cl-]

InChI

InChI=1S/C26H26N2O3.ClH/c1-2-31-24(29)13-8-16-26(19-20-14-17-27-18-15-20)22-11-6-7-12-23(22)28(25(26)30)21-9-4-3-5-10-21;/h3-7,9-12,14-15,17-18H,2,8,13,16,19H2,1H3;1H/p-1