[(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] (2R)-2-phenylbutanoate

Systemtic Name: [(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] (2R)-2-phenylbutanoate Openeye Name: [(1S)-1-[(isopropylamino)methyl]-2-(1-naphthyloxy)ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [(2S)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [(1S)-1-[(isopropylamino)methyl]-2-(1-naphthoxy)ethyl] ester Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC(CNC(C)C)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)O[C@@H](CNC(C)C)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H31NO3/c1-4-23(20-11-6-5-7-12-20)26(28)30-22(17-27-19(2)3)18-29-25-16-10-14-21-13-8-9-15-24(21)25/h5-16,19,22-23,27H,4,17-18H2,1-3H3/t22-,23+/m0/s1