ethyl 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-1-(4-methoxyphenyl)-2-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-1-(4-methoxyphenyl)-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-[2-(azepan-1-yl)-2-oxo-ethoxy]-1-(4-methoxyphenyl)-2-methyl-indole-3-carboxylate CAS Name: 5-[2-(1-azepanyl)-2-oxoethoxy]-1-(4-methoxyphenyl)-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(azepan-1-yl)-2-oxoethoxy]-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethoxy]-1-(4-methoxyphenyl)-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)N3CCCCCC3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)N3CCCCCC3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H32N2O5/c1-4-33-27(31)26-19(2)29(20-9-11-21(32-3)12-10-20)24-14-13-22(17-23(24)26)34-18-25(30)28-15-7-5-6-8-16-28/h9-14,17H,4-8,15-16,18H2,1-3H3