ethyl 5-[(2S)-3-(2-hydroxyethylamino)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-3-(2-hydroxyethylamino)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[(2S)-2-hydroxy-3-(2-hydroxyethylamino)propoxy]-2-methyl-indole-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-(2-hydroxyethylamino)propoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[(2S)-2-hydroxy-3-(2-hydroxyethylamino)propoxy]-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-5-[(2S)-2-hydroxy-3-(2-hydroxyethylamino)propoxy]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C24H30N2O5 MolecularWeight: 426.5054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCCO)O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](CNCCO)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H30N2O5/c1-3-30-24(29)23-17(2)26(15-18-7-5-4-6-8-18)22-10-9-20(13-21(22)23)31-16-19(28)14-25-11-12-27/h4-10,13,19,25,27-28H,3,11-12,14-16H2,1-2H3/t19-/m0/s1