8-[(butan-2-ylamino)methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 8-[(butan-2-ylamino)methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-hydroxy-4-methyl-8-[(sec-butylamino)methyl]chromen-2-one CAS Name: 8-[(butan-2-ylamino)methyl]-7-hydroxy-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-8-[(butan-2-ylamino)methyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-benzyl-7-hydroxy-4-methyl-8-[(sec-butylamino)methyl]coumarin Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=C(C=CC2=C1OC(=O)C(=C2C)CC3=CC=CC=C3)O

Isomeric SMILES

CCC(C)NCC1=C(C=CC2=C1OC(=O)C(=C2C)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO3/c1-4-14(2)23-13-19-20(24)11-10-17-15(3)18(22(25)26-21(17)19)12-16-8-6-5-7-9-16/h5-11,14,23-24H,4,12-13H2,1-3H3