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

Systemtic Name: methyl 6-methyl-2-[2-oxidanyl-3-(prop-2-ynylamino)propoxy]-3-propan-2-yl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)OCC(CNCC#C)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)OCC(CNCC#C)O)C(=O)OC

InChI

InChI=1S/C18H25NO4/c1-6-9-19-10-14(20)11-23-17-15(12(2)3)8-7-13(4)16(17)18(21)22-5/h1,7-8,12,14,19-20H,9-11H2,2-5H3