6-(2-methylpropyl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-yl-amino]chromen-2-one

Systemtic Name: 6-(2-methylpropyl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-yl-amino]chromen-2-one Openeye Name: 4-[[(E)-cinnamyl]-(4-piperidyl)amino]-6-isobutyl-chromen-2-one CAS Name: 6-(2-methylpropyl)-4-[[(E)-3-phenylprop-2-enyl]-(4-piperidinyl)amino]-1-benzopyran-2-one IUPAC Name: 6-(2-methylpropyl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-ylamino]chromen-2-one Traditional Name: 4-[[(E)-cinnamyl]-(4-piperidyl)amino]-6-isobutyl-coumarin Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(C=C1)OC(=O)C=C2N(CC=CC3=CC=CC=C3)C4CCNCC4

Isomeric SMILES

CC(C)CC1=CC2=C(C=C1)OC(=O)C=C2N(C/C=C/C3=CC=CC=C3)C4CCNCC4

InChI

InChI=1S/C27H32N2O2/c1-20(2)17-22-10-11-26-24(18-22)25(19-27(30)31-26)29(23-12-14-28-15-13-23)16-6-9-21-7-4-3-5-8-21/h3-11,18-20,23,28H,12-17H2,1-2H3/b9-6+