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

Systemtic Name: 2,3,3,4,4,5,7-heptadeuterio-6-methoxy-8-(4-methylpiperazin-1-yl)chromene-2-carboxylic acid Openeye Name: 2,3,3,4,4,5,7-heptadeuterio-6-methoxy-8-(4-methylpiperazin-1-yl)chromane-2-carboxylic acid CAS Name: 2,3,3,4,4,5,7-heptadeuterio-6-methoxy-8-(4-methyl-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 2,3,3,4,4,5,7-heptadeuterio-6-methoxy-8-(4-methylpiperazin-1-yl)chromene-2-carboxylic acid Traditional Name: 2,3,3,4,4,5,7-heptadeuterio-6-methoxy-8-(4-methylpiperazino)chroman-2-carboxylic acid Formula: C16H22N2O4 MolecularWeight: 313.400012

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=CC(=C2)OC)CCC(O3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-17-5-7-18(8-6-17)13-10-12(21-2)9-11-3-4-14(16(19)20)22-15(11)13/h9-10,14H,3-8H2,1-2H3,(H,19,20)/i3D2,4D2,9D,10D,14D