4-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]butyl ethanoate hydrochloride

Systemtic Name: 4-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]butyl ethanoate hydrochloride Openeye Name: 4-[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]butyl acetate hydrochloride CAS Name: acetic acid 4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]butyl ester hydrochloride IUPAC Name: 4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]butyl acetate hydrochloride Traditional Name: acetic acid 4-[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]butyl ester hydrochloride Formula: C26H27ClN2O3 MolecularWeight: 450.95718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.Cl

Isomeric SMILES

CC(=O)OCCCCC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.Cl

InChI

InChI=1S/C26H26N2O3.ClH/c1-20(29)31-18-8-7-15-26(19-21-13-16-27-17-14-21)23-11-5-6-12-24(23)28(25(26)30)22-9-3-2-4-10-22;/h2-6,9-14,16-17H,7-8,15,18-19H2,1H3;1H