4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-3-chloranyl-6-methoxy-chromen-2-one

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-3-chloranyl-6-methoxy-chromen-2-one Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-3-chloro-6-methoxy-chromen-2-one CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-3-chloro-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-3-chloro-6-methoxychromen-2-one Traditional Name: 3-chloro-6-methoxy-4-[(1-piperonyl-4-piperidyl)amino]coumarin Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C23H23ClN2O5/c1-28-16-3-5-18-17(11-16)22(21(24)23(27)31-18)25-15-6-8-26(9-7-15)12-14-2-4-19-20(10-14)30-13-29-19/h2-5,10-11,15,25H,6-9,12-13H2,1H3