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

Systemtic Name: (phenylmethyl) 4-[(4-methoxy-2-oxidanyl-3-propan-2-yloxy-phenyl)methylamino]butanoate Openeye Name: benzyl 4-[(2-hydroxy-3-isopropoxy-4-methoxy-phenyl)methylamino]butanoate CAS Name: 4-[(2-hydroxy-4-methoxy-3-propan-2-yloxyphenyl)methylamino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2-hydroxy-4-methoxy-3-propan-2-yloxyphenyl)methylamino]butanoate Traditional Name: 4-[(2-hydroxy-3-isopropoxy-4-methoxy-benzyl)amino]butyric acid benzyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1O)CNCCCC(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1O)CNCCCC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H29NO5/c1-16(2)28-22-19(26-3)12-11-18(21(22)25)14-23-13-7-10-20(24)27-15-17-8-5-4-6-9-17/h4-6,8-9,11-12,16,23,25H,7,10,13-15H2,1-3H3