ethyl (2S)-2-azanyl-3-[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propanoate

Systemtic Name: ethyl (2S)-2-azanyl-3-[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propanoate Openeye Name: ethyl (2S)-2-amino-3-[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propanoate CAS Name: (2S)-2-amino-3-[3-ethoxy-4-[3-(1-pyrrolidinyl)propoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-3-[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propanoate Traditional Name: (2S)-2-amino-3-[3-ethoxy-4-(3-pyrrolidinopropoxy)phenyl]propionic acid ethyl ester Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(C(=O)OCC)N)OCCCN2CCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[C@@H](C(=O)OCC)N)OCCCN2CCCC2

InChI

InChI=1S/C20H32N2O4/c1-3-24-19-15-16(14-17(21)20(23)25-4-2)8-9-18(19)26-13-7-12-22-10-5-6-11-22/h8-9,15,17H,3-7,10-14,21H2,1-2H3/t17-/m0/s1