ethyl 5-(3-cyano-4-phenylazanyl-pyridin-2-yl)oxy-1-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-(3-cyano-4-phenylazanyl-pyridin-2-yl)oxy-1-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-[(4-anilino-3-cyano-2-pyridyl)oxy]-2-(morpholin-4-ium-4-ylmethyl)-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[(4-anilino-3-cyano-2-pyridinyl)oxy]-1-(4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-anilino-3-cyanopyridin-2-yl)oxy-1-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Traditional Name: 5-[(4-anilino-3-cyano-2-pyridyl)oxy]-2-(morpholin-4-ium-4-ylmethyl)-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C35H34N5O4+ MolecularWeight: 588.67556

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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)C)C[NH+]6CCOCC6

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)C)C[NH+]6CCOCC6

InChI

InChI=1S/C35H33N5O4/c1-3-43-35(41)33-28-21-27(44-34-29(22-36)30(15-16-37-34)38-25-7-5-4-6-8-25)13-14-31(28)40(26-11-9-24(2)10-12-26)32(33)23-39-17-19-42-20-18-39/h4-16,21H,3,17-20,23H2,1-2H3,(H,37,38)/p+1