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

Systemtic Name: ethyl 1-(4-bromophenyl)-2-(chloromethyl)-5-(3-cyano-4-phenylazanyl-pyridin-2-yl)oxy-indole-3-carboxylate Openeye Name: ethyl 5-[(4-anilino-3-cyano-2-pyridyl)oxy]-1-(4-bromophenyl)-2-(chloromethyl)indole-3-carboxylate CAS Name: 5-[(4-anilino-3-cyano-2-pyridinyl)oxy]-1-(4-bromophenyl)-2-(chloromethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-anilino-3-cyanopyridin-2-yl)oxy-1-(4-bromophenyl)-2-(chloromethyl)indole-3-carboxylate Traditional Name: 5-[(4-anilino-3-cyano-2-pyridyl)oxy]-1-(4-bromophenyl)-2-(chloromethyl)indole-3-carboxylic acid ethyl ester Formula: C30H22BrClN4O3 MolecularWeight: 601.87768

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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)Br)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)Br)CCl

InChI

InChI=1S/C30H22BrClN4O3/c1-2-38-30(37)28-23-16-22(12-13-26(23)36(27(28)17-32)21-10-8-19(31)9-11-21)39-29-24(18-33)25(14-15-34-29)35-20-6-4-3-5-7-20/h3-16H,2,17H2,1H3,(H,34,35)