methyl (2S)-2-[(3S,4S)-1-(2-acetyloxyethyl)-3-ethyl-piperidin-4-yl]-2-indol-1-yl-ethanoate

Systemtic Name: methyl (2S)-2-[(3S,4S)-1-(2-acetyloxyethyl)-3-ethyl-piperidin-4-yl]-2-indol-1-yl-ethanoate Openeye Name: methyl (2S)-2-[(3S,4S)-1-(2-acetoxyethyl)-3-ethyl-4-piperidyl]-2-indol-1-yl-acetate CAS Name: (2S)-2-[(3S,4S)-1-(2-acetyloxyethyl)-3-ethyl-4-piperidinyl]-2-(1-indolyl)acetic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S,4S)-1-(2-acetyloxyethyl)-3-ethylpiperidin-4-yl]-2-indol-1-ylacetate Traditional Name: (2S)-2-[(3S,4S)-1-(2-acetoxyethyl)-3-ethyl-4-piperidyl]-2-indol-1-yl-acetic acid methyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1C(C(=O)OC)N2C=CC3=CC=CC=C32)CCOC(=O)C

Isomeric SMILES

CC[C@@H]1CN(CC[C@@H]1[C@@H](C(=O)OC)N2C=CC3=CC=CC=C32)CCOC(=O)C

InChI

InChI=1S/C22H30N2O4/c1-4-17-15-23(13-14-28-16(2)25)11-10-19(17)21(22(26)27-3)24-12-9-18-7-5-6-8-20(18)24/h5-9,12,17,19,21H,4,10-11,13-15H2,1-3H3/t17-,19+,21+/m1/s1