4-acetyloxy-2,3,3,4,5,7-hexadeuterio-6-methoxy-8-(4-methylpiperazin-1-yl)chromene-2-carboxylic acid

Systemtic Name: 4-acetyloxy-2,3,3,4,5,7-hexadeuterio-6-methoxy-8-(4-methylpiperazin-1-yl)chromene-2-carboxylic acid Openeye Name: 4-acetoxy-2,3,3,4,5,7-hexadeuterio-6-methoxy-8-(4-methylpiperazin-1-yl)chromane-2-carboxylic acid CAS Name: 4-acetyloxy-2,3,3,4,5,7-hexadeuterio-6-methoxy-8-(4-methyl-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 4-acetyloxy-2,3,3,4,5,7-hexadeuterio-6-methoxy-8-(4-methylpiperazin-1-yl)chromene-2-carboxylic acid Traditional Name: 4-acetoxy-2,3,3,4,5,7-hexadeuterio-6-methoxy-8-(4-methylpiperazino)chroman-2-carboxylic acid Formula: C18H24N2O6 MolecularWeight: 370.429931

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC2=C(C=C(C=C12)OC)N3CCN(CC3)C)C(=O)O

Isomeric SMILES

[2H]C1=C2C(=C(C(=C1OC)[2H])N3CCN(CC3)C)OC(C(C2([2H])OC(=O)C)([2H])[2H])([2H])C(=O)O

InChI

InChI=1S/C18H24N2O6/c1-11(21)25-15-10-16(18(22)23)26-17-13(15)8-12(24-3)9-14(17)20-6-4-19(2)5-7-20/h8-9,15-16H,4-7,10H2,1-3H3,(H,22,23)/i8D,9D,10D2,15D,16D