3-tert-butyl-6-[(1-methylpiperidin-3-yl)-phenyl-methoxy]chromen-2-one

Systemtic Name: 3-tert-butyl-6-[(1-methylpiperidin-3-yl)-phenyl-methoxy]chromen-2-one Openeye Name: 3-tert-butyl-6-[(1-methyl-3-piperidyl)-phenyl-methoxy]chromen-2-one CAS Name: 3-tert-butyl-6-[(1-methyl-3-piperidinyl)-phenylmethoxy]-1-benzopyran-2-one IUPAC Name: 3-tert-butyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one Traditional Name: 3-tert-butyl-6-[(1-methyl-3-piperidyl)-phenyl-methoxy]coumarin Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=CC(=C2)OC(C3CCCN(C3)C)C4=CC=CC=C4)OC1=O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=CC(=C2)OC(C3CCCN(C3)C)C4=CC=CC=C4)OC1=O

InChI

InChI=1S/C26H31NO3/c1-26(2,3)22-16-20-15-21(12-13-23(20)30-25(22)28)29-24(18-9-6-5-7-10-18)19-11-8-14-27(4)17-19/h5-7,9-10,12-13,15-16,19,24H,8,11,14,17H2,1-4H3