ethyl 6-methyl-2-[2-oxidanyl-3-(prop-2-ynylamino)propoxy]-3-propan-2-yl-benzoate

Systemtic Name: ethyl 6-methyl-2-[2-oxidanyl-3-(prop-2-ynylamino)propoxy]-3-propan-2-yl-benzoate Openeye Name: ethyl 2-[2-hydroxy-3-(prop-2-ynylamino)propoxy]-3-isopropyl-6-methyl-benzoate CAS Name: 2-[2-hydroxy-3-(prop-2-ynylamino)propoxy]-6-methyl-3-propan-2-ylbenzoic acid ethyl ester IUPAC Name: ethyl 2-[2-hydroxy-3-(prop-2-ynylamino)propoxy]-6-methyl-3-propan-2-ylbenzoate Traditional Name: 2-[2-hydroxy-3-(propargylamino)propoxy]-3-isopropyl-6-methyl-benzoic acid ethyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1OCC(CNCC#C)O)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1OCC(CNCC#C)O)C(C)C)C

InChI

InChI=1S/C19H27NO4/c1-6-10-20-11-15(21)12-24-18-16(13(3)4)9-8-14(5)17(18)19(22)23-7-2/h1,8-9,13,15,20-21H,7,10-12H2,2-5H3