ethyl 5-chloranyl-3-[[[2-(3-hydroxyphenyl)-2-oxidanyl-cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-[[[2-(3-hydroxyphenyl)-2-oxidanyl-cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-[[[2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[[2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-[[[2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[[2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methylamino]methyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)CNCC3CCCCC3(C4=CC(=CC=C4)O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)CNCC3CCCCC3(C4=CC(=CC=C4)O)O

InChI

InChI=1S/C25H29ClN2O4/c1-2-32-24(30)23-21(20-13-18(26)9-10-22(20)28-23)15-27-14-17-6-3-4-11-25(17,31)16-7-5-8-19(29)12-16/h5,7-10,12-13,17,27-29,31H,2-4,6,11,14-15H2,1H3