2-chloranyl-3-[[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]-propan-2-yl-amino]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]-propan-2-yl-amino]naphthalene-1,4-dione Openeye Name: 2-[[3-(2-allylphenoxy)-2-hydroxy-propyl]-isopropyl-amino]-3-chloro-naphthalene-1,4-dione CAS Name: 2-chloro-3-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-propan-2-ylamino]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-propan-2-ylamino]naphthalene-1,4-dione Traditional Name: 2-[[3-(2-allylphenoxy)-2-hydroxy-propyl]-isopropyl-amino]-3-chloro-1,4-naphthoquinone Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(COC1=CC=CC=C1CC=C)O)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC(C)N(CC(COC1=CC=CC=C1CC=C)O)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C25H26ClNO4/c1-4-9-17-10-5-8-13-21(17)31-15-18(28)14-27(16(2)3)23-22(26)24(29)19-11-6-7-12-20(19)25(23)30/h4-8,10-13,16,18,28H,1,9,14-15H2,2-3H3