4-[[3-chloranyl-4-(3-piperidin-1-ylpropoxy)phenyl]methyl-piperidin-4-yl-amino]-6-methoxy-chromen-2-one

Systemtic Name: 4-[[3-chloranyl-4-(3-piperidin-1-ylpropoxy)phenyl]methyl-piperidin-4-yl-amino]-6-methoxy-chromen-2-one Openeye Name: 4-[[3-chloro-4-[3-(1-piperidyl)propoxy]phenyl]methyl-(4-piperidyl)amino]-6-methoxy-chromen-2-one CAS Name: 4-[[3-chloro-4-[3-(1-piperidinyl)propoxy]phenyl]methyl-(4-piperidinyl)amino]-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[3-chloro-4-(3-piperidin-1-ylpropoxy)phenyl]methyl-piperidin-4-ylamino]-6-methoxychromen-2-one Traditional Name: 4-[[3-chloro-4-(3-piperidinopropoxy)benzyl]-(4-piperidyl)amino]-6-methoxy-coumarin Formula: C30H38ClN3O4 MolecularWeight: 540.09342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC(=C(C=C3)OCCCN4CCCCC4)Cl)C5CCNCC5

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2N(CC3=CC(=C(C=C3)OCCCN4CCCCC4)Cl)C5CCNCC5

InChI

InChI=1S/C30H38ClN3O4/c1-36-24-7-9-28-25(19-24)27(20-30(35)38-28)34(23-10-12-32-13-11-23)21-22-6-8-29(26(31)18-22)37-17-5-16-33-14-3-2-4-15-33/h6-9,18-20,23,32H,2-5,10-17,21H2,1H3