(Z)-but-2-enedioic acid; 7-(2-diethylaminoethyloxy)-8-methyl-4-piperazin-1-yl-chromen-2-one

Systemtic Name: (Z)-but-2-enedioic acid; 7-(2-diethylaminoethyloxy)-8-methyl-4-piperazin-1-yl-chromen-2-one Openeye Name: 7-(2-diethylaminoethyloxy)-8-methyl-4-piperazin-1-yl-chromen-2-one; maleic acid CAS Name: (Z)-2-butenedioic acid; 7-(2-diethylaminoethyloxy)-8-methyl-4-(1-piperazinyl)-1-benzopyran-2-one IUPAC Name: (Z)-but-2-enedioic acid; 7-(2-diethylaminoethyloxy)-8-methyl-4-piperazin-1-ylchromen-2-one Traditional Name: 7-(2-diethylaminoethyloxy)-8-methyl-4-piperazino-coumarin; maleic acid Formula: C24H33N3O7 MolecularWeight: 475.53472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C2=C(C=C1)C(=CC(=O)O2)N3CCNCC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCOC1=C(C2=C(C=C1)C(=CC(=O)O2)N3CCNCC3)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H29N3O3.C4H4O4/c1-4-22(5-2)12-13-25-18-7-6-16-17(23-10-8-21-9-11-23)14-19(24)26-20(16)15(18)3;5-3(6)1-2-4(7)8/h6-7,14,21H,4-5,8-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-