2-azanyl-4-[5-[3-(3,4-dimethylphenoxy)prop-1-ynyl]furan-2-yl]-2-methyl-butan-1-ol; ethanedioic acid

Systemtic Name: 2-azanyl-4-[5-[3-(3,4-dimethylphenoxy)prop-1-ynyl]furan-2-yl]-2-methyl-butan-1-ol; ethanedioic acid Openeye Name: 2-amino-4-[5-[3-(3,4-dimethylphenoxy)prop-1-ynyl]-2-furyl]-2-methyl-butan-1-ol; oxalic acid CAS Name: 2-amino-4-[5-[3-(3,4-dimethylphenoxy)prop-1-ynyl]-2-furanyl]-2-methyl-1-butanol; oxalic acid IUPAC Name: 2-amino-4-[5-[3-(3,4-dimethylphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol; oxalic acid Traditional Name: 2-amino-4-[5-[3-(3,4-dimethylphenoxy)prop-1-ynyl]-2-furyl]-2-methyl-butan-1-ol; oxalic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC#CC2=CC=C(O2)CCC(C)(CO)N)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)OCC#CC2=CC=C(O2)CCC(C)(CO)N)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO3.C2H2O4/c1-15-6-7-19(13-16(15)2)23-12-4-5-17-8-9-18(24-17)10-11-20(3,21)14-22;3-1(4)2(5)6/h6-9,13,22H,10-12,14,21H2,1-3H3;(H,3,4)(H,5,6)