ethyl 1,2-dimethyl-5-[(2S)-2-oxidanyl-3-[(phenylmethyl)amino]propoxy]indole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-5-[(2S)-2-oxidanyl-3-[(phenylmethyl)amino]propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[(2S)-3-(benzylamino)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[(2S)-2-hydroxy-3-[(phenylmethyl)amino]propoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-3-(benzylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[(2S)-3-(benzylamino)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNCC3=CC=CC=C3)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](CNCC3=CC=CC=C3)O)C)C

InChI

InChI=1S/C23H28N2O4/c1-4-28-23(27)22-16(2)25(3)21-11-10-19(12-20(21)22)29-15-18(26)14-24-13-17-8-6-5-7-9-17/h5-12,18,24,26H,4,13-15H2,1-3H3/t18-/m0/s1