4,7-dimethyl-2-oxidanyl-3-(phenylmethyl)-6-(pyrrolidin-1-ylmethyl)-6,7,8,8a-tetrahydrochromen-5-one

Systemtic Name: 4,7-dimethyl-2-oxidanyl-3-(phenylmethyl)-6-(pyrrolidin-1-ylmethyl)-6,7,8,8a-tetrahydrochromen-5-one Openeye Name: 3-benzyl-2-hydroxy-4,7-dimethyl-6-(pyrrolidin-1-ylmethyl)-6,7,8,8a-tetrahydrochromen-5-one CAS Name: 2-hydroxy-4,7-dimethyl-3-(phenylmethyl)-6-(1-pyrrolidinylmethyl)-6,7,8,8a-tetrahydro-1-benzopyran-5-one IUPAC Name: 3-benzyl-2-hydroxy-4,7-dimethyl-6-(pyrrolidin-1-ylmethyl)-6,7,8,8a-tetrahydrochromen-5-one Traditional Name: 3-benzyl-2-hydroxy-4,7-dimethyl-6-(pyrrolidinomethyl)-6,7,8,8a-tetrahydrochromen-5-one Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(=C(C(=C(O2)O)CC3=CC=CC=C3)C)C(=O)C1CN4CCCC4

Isomeric SMILES

CC1CC2C(=C(C(=C(O2)O)CC3=CC=CC=C3)C)C(=O)C1CN4CCCC4

InChI

InChI=1S/C23H29NO3/c1-15-12-20-21(22(25)19(15)14-24-10-6-7-11-24)16(2)18(23(26)27-20)13-17-8-4-3-5-9-17/h3-5,8-9,15,19-20,26H,6-7,10-14H2,1-2H3