ethyl 5-[(2S)-3-(cyclopentylamino)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-3-(cyclopentylamino)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Openeye Name: ethyl 5-[(2S)-3-(cyclopentylamino)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[(2S)-3-(cyclopentylamino)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNC3CCCC3)O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](CNC3CCCC3)O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H34N2O4/c1-4-32-27(31)26-19(3)29(21-11-9-18(2)10-12-21)25-14-13-23(15-24(25)26)33-17-22(30)16-28-20-7-5-6-8-20/h9-15,20,22,28,30H,4-8,16-17H2,1-3H3/t22-/m0/s1