4-[[3,5-bis(chloranyl)pyridin-4-yl]amino]-8-(cyclopentylmethoxy)-7-methoxy-chromen-2-one

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]amino]-8-(cyclopentylmethoxy)-7-methoxy-chromen-2-one Openeye Name: 8-(cyclopentylmethoxy)-4-[(3,5-dichloro-4-pyridyl)amino]-7-methoxy-chromen-2-one CAS Name: 8-(cyclopentylmethoxy)-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-1-benzopyran-2-one IUPAC Name: 8-(cyclopentylmethoxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxychromen-2-one Traditional Name: 8-(cyclopentylmethoxy)-4-[(3,5-dichloro-4-pyridyl)amino]-7-methoxy-coumarin Formula: C21H20Cl2N2O4 MolecularWeight: 435.3005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=NC=C3Cl)Cl)OCC4CCCC4

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=NC=C3Cl)Cl)OCC4CCCC4

InChI

InChI=1S/C21H20Cl2N2O4/c1-27-17-7-6-13-16(25-19-14(22)9-24-10-15(19)23)8-18(26)29-20(13)21(17)28-11-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3,(H,24,25)