ethyl 2-bromanyl-3-[4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]phenyl]propanoate

Systemtic Name: ethyl 2-bromanyl-3-[4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]phenyl]propanoate Openeye Name: ethyl 2-bromo-3-[4-[[(2S)-1-(2-pyridyl)pyrrolidin-2-yl]methoxy]phenyl]propanoate CAS Name: 2-bromo-3-[4-[[(2S)-1-(2-pyridinyl)-2-pyrrolidinyl]methoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-bromo-3-[4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]phenyl]propanoate Traditional Name: 2-bromo-3-[4-[[(2S)-1-(2-pyridyl)pyrrolidin-2-yl]methoxy]phenyl]propionic acid ethyl ester Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCC2CCCN2C3=CC=CC=N3)Br

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC[C@@H]2CCCN2C3=CC=CC=N3)Br

InChI

InChI=1S/C21H25BrN2O3/c1-2-26-21(25)19(22)14-16-8-10-18(11-9-16)27-15-17-6-5-13-24(17)20-7-3-4-12-23-20/h3-4,7-12,17,19H,2,5-6,13-15H2,1H3/t17-,19?/m0/s1