tert-butyl 2-[4-[3-(1,3-benzoxazol-2-yl)propyl]phenoxy]-2-methyl-propanoate; propan-1-amine

Systemtic Name: tert-butyl 2-[4-[3-(1,3-benzoxazol-2-yl)propyl]phenoxy]-2-methyl-propanoate; propan-1-amine Openeye Name: tert-butyl 2-[4-[3-(1,3-benzoxazol-2-yl)propyl]phenoxy]-2-methyl-propanoate; propan-1-amine CAS Name: 2-[4-[3-(1,3-benzoxazol-2-yl)propyl]phenoxy]-2-methylpropanoic acid tert-butyl ester; 1-propanamine IUPAC Name: tert-butyl 2-[4-[3-(1,3-benzoxazol-2-yl)propyl]phenoxy]-2-methylpropanoate; propan-1-amine Traditional Name: 2-[4-[3-(1,3-benzoxazol-2-yl)propyl]phenoxy]-2-methyl-propionic acid tert-butyl ester; propylamine Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCCN.CC(C)(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)CCCC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCN.CC(C)(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)CCCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C24H29NO4.C3H9N/c1-23(2,3)29-22(26)24(4,5)28-18-15-13-17(14-16-18)9-8-12-21-25-19-10-6-7-11-20(19)27-21;1-2-3-4/h6-7,10-11,13-16H,8-9,12H2,1-5H3;2-4H2,1H3