3-[(3-aminophenyl)-cyclopropyl-methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one

Systemtic Name: 3-[(3-aminophenyl)-cyclopropyl-methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one Openeye Name: 3-[(3-aminophenyl)-cyclopropyl-methyl]-6-(1-benzylpropyl)-2-hydroxy-pyran-4-one CAS Name: 3-[(3-aminophenyl)-cyclopropylmethyl]-2-hydroxy-6-(1-phenylbutan-2-yl)-4-pyranone IUPAC Name: 3-[(3-aminophenyl)-cyclopropylmethyl]-2-hydroxy-6-(1-phenylbutan-2-yl)pyran-4-one Traditional Name: 3-[(3-aminophenyl)-cyclopropyl-methyl]-6-(1-benzylpropyl)-2-hydroxy-pyran-4-one Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)N

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)N

InChI

InChI=1S/C25H27NO3/c1-2-17(13-16-7-4-3-5-8-16)22-15-21(27)24(25(28)29-22)23(18-11-12-18)19-9-6-10-20(26)14-19/h3-10,14-15,17-18,23,28H,2,11-13,26H2,1H3