4-[3-[butyl(phenyl)amino]prop-1-ynyl]-2,3-dimethoxy-4-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: 4-[3-[butyl(phenyl)amino]prop-1-ynyl]-2,3-dimethoxy-4-oxidanyl-cyclobut-2-en-1-one Openeye Name: 4-[3-(N-butylanilino)prop-1-ynyl]-4-hydroxy-2,3-dimethoxy-cyclobut-2-en-1-one CAS Name: 4-[3-(N-butylanilino)prop-1-ynyl]-4-hydroxy-2,3-dimethoxy-1-cyclobut-2-enone IUPAC Name: 4-[3-(N-butylanilino)prop-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one Traditional Name: 4-[3-(N-butylanilino)prop-1-ynyl]-4-hydroxy-2,3-dimethoxy-cyclobut-2-en-1-one Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC#CC1(C(=C(C1=O)OC)OC)O)C2=CC=CC=C2

Isomeric SMILES

CCCCN(CC#CC1(C(=C(C1=O)OC)OC)O)C2=CC=CC=C2

InChI

InChI=1S/C19H23NO4/c1-4-5-13-20(15-10-7-6-8-11-15)14-9-12-19(22)17(21)16(23-2)18(19)24-3/h6-8,10-11,22H,4-5,13-14H2,1-3H3