(phenylmethyl) (2S)-2-[(4-methoxy-2-oxidanyl-3-propan-2-yloxy-phenyl)methylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-methoxy-2-oxidanyl-3-propan-2-yloxy-phenyl)methylamino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[(2-hydroxy-3-isopropoxy-4-methoxy-phenyl)methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-hydroxy-4-methoxy-3-propan-2-yloxyphenyl)methylamino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-hydroxy-4-methoxy-3-propan-2-yloxyphenyl)methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-hydroxy-3-isopropoxy-4-methoxy-benzyl)amino]-3-phenyl-propionic acid benzyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1O)CNC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1O)CN[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C27H31NO5/c1-19(2)33-26-24(31-3)15-14-22(25(26)29)17-28-23(16-20-10-6-4-7-11-20)27(30)32-18-21-12-8-5-9-13-21/h4-15,19,23,28-29H,16-18H2,1-3H3/t23-/m0/s1