4-[2-[4-[2-(4-tert-butylphenoxy)ethanoyl]piperazin-1-yl]ethylamino]chromen-2-one

Systemtic Name: 4-[2-[4-[2-(4-tert-butylphenoxy)ethanoyl]piperazin-1-yl]ethylamino]chromen-2-one Openeye Name: 4-[2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]ethylamino]chromen-2-one CAS Name: 4-[2-[4-[2-(4-tert-butylphenoxy)-1-oxoethyl]-1-piperazinyl]ethylamino]-1-benzopyran-2-one IUPAC Name: 4-[2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]ethylamino]chromen-2-one Traditional Name: 4-[2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazino]ethylamino]coumarin Formula: C27H33N3O4 MolecularWeight: 463.56862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CCNC3=CC(=O)OC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CCNC3=CC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C27H33N3O4/c1-27(2,3)20-8-10-21(11-9-20)33-19-25(31)30-16-14-29(15-17-30)13-12-28-23-18-26(32)34-24-7-5-4-6-22(23)24/h4-11,18,28H,12-17,19H2,1-3H3