ethyl 2-(chloromethyl)-5-(3-cyano-4-phenylazanyl-pyridin-2-yl)oxy-1-(4-methoxyphenyl)indole-3-carboxylate

Systemtic Name: ethyl 2-(chloromethyl)-5-(3-cyano-4-phenylazanyl-pyridin-2-yl)oxy-1-(4-methoxyphenyl)indole-3-carboxylate Openeye Name: ethyl 5-[(4-anilino-3-cyano-2-pyridyl)oxy]-2-(chloromethyl)-1-(4-methoxyphenyl)indole-3-carboxylate CAS Name: 5-[(4-anilino-3-cyano-2-pyridinyl)oxy]-2-(chloromethyl)-1-(4-methoxyphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-anilino-3-cyanopyridin-2-yl)oxy-2-(chloromethyl)-1-(4-methoxyphenyl)indole-3-carboxylate Traditional Name: 5-[(4-anilino-3-cyano-2-pyridyl)oxy]-2-(chloromethyl)-1-(4-methoxyphenyl)indole-3-carboxylic acid ethyl ester Formula: C31H25ClN4O4 MolecularWeight: 553.0076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=NC=CC(=C3C#N)NC4=CC=CC=C4)C5=CC=C(C=C5)OC)CCl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC3=NC=CC(=C3C#N)NC4=CC=CC=C4)C5=CC=C(C=C5)OC)CCl

InChI

InChI=1S/C31H25ClN4O4/c1-3-39-31(37)29-24-17-23(13-14-27(24)36(28(29)18-32)21-9-11-22(38-2)12-10-21)40-30-25(19-33)26(15-16-34-30)35-20-7-5-4-6-8-20/h4-17H,3,18H2,1-2H3,(H,34,35)