methyl 4-azanyl-3-[3-(methoxymethyl)-6,7-dimethyl-3-oxidanyl-oct-6-en-1-ynyl]benzoate

Systemtic Name: methyl 4-azanyl-3-[3-(methoxymethyl)-6,7-dimethyl-3-oxidanyl-oct-6-en-1-ynyl]benzoate Openeye Name: methyl 4-amino-3-[3-hydroxy-3-(methoxymethyl)-6,7-dimethyl-oct-6-en-1-ynyl]benzoate CAS Name: 4-amino-3-[3-hydroxy-3-(methoxymethyl)-6,7-dimethyloct-6-en-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-[3-hydroxy-3-(methoxymethyl)-6,7-dimethyloct-6-en-1-ynyl]benzoate Traditional Name: 4-amino-3-[3-hydroxy-3-(methoxymethyl)-6,7-dimethyl-oct-6-en-1-ynyl]benzoic acid methyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)CCC(COC)(C#CC1=C(C=CC(=C1)C(=O)OC)N)O)C

Isomeric SMILES

CC(=C(C)CCC(COC)(C#CC1=C(C=CC(=C1)C(=O)OC)N)O)C

InChI

InChI=1S/C20H27NO4/c1-14(2)15(3)8-10-20(23,13-24-4)11-9-16-12-17(19(22)25-5)6-7-18(16)21/h6-7,12,23H,8,10,13,21H2,1-5H3