ethyl (E)-4-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]but-2-enoate hydrochloride

Systemtic Name: ethyl (E)-4-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]but-2-enoate hydrochloride Openeye Name: ethyl (E)-4-[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]but-2-enoate hydrochloride CAS Name: (E)-4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]-2-butenoic acid ethyl ester hydrochloride IUPAC Name: ethyl (E)-4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]but-2-enoate hydrochloride Traditional Name: (E)-4-[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]but-2-enoic acid ethyl ester hydrochloride Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.Cl

Isomeric SMILES

CCOC(=O)/C=C/CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.Cl

InChI

InChI=1S/C26H24N2O3.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;/h3-15,17-18H,2,16,19H2,1H3;1H/b13-8+;