6-bromanyl-8-methoxy-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-bromanyl-8-methoxy-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzylpiperidine-1-carbonyl)-6-bromo-8-methoxy-chromen-2-one CAS Name: 6-bromo-8-methoxy-3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperidine-1-carbonyl)-6-bromo-8-methoxychromen-2-one Traditional Name: 3-(4-benzylpiperidine-1-carbonyl)-6-bromo-8-methoxy-coumarin Formula: C23H22BrNO4 MolecularWeight: 456.32908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H22BrNO4/c1-28-20-14-18(24)12-17-13-19(23(27)29-21(17)20)22(26)25-9-7-16(8-10-25)11-15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3