3-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]-4-methoxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]-4-methoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]-4-methoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[3-(1-azocanylmethyl)phenoxy]propylamino]-4-methoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]-4-methoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[3-[3-(azocan-1-ylmethyl)phenoxy]propylamino]-4-methoxy-cyclobut-3-ene-1,2-quinone Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C1=O)NCCCOC2=CC=CC(=C2)CN3CCCCCCC3

Isomeric SMILES

COC1=C(C(=O)C1=O)NCCCOC2=CC=CC(=C2)CN3CCCCCCC3

InChI

InChI=1S/C22H30N2O4/c1-27-22-19(20(25)21(22)26)23-11-8-14-28-18-10-7-9-17(15-18)16-24-12-5-3-2-4-6-13-24/h7,9-10,15,23H,2-6,8,11-14,16H2,1H3