3-[cyclopropyl-[3-(cyclopropylmethylamino)phenyl]methyl]-2-oxidanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one

Systemtic Name: 3-[cyclopropyl-[3-(cyclopropylmethylamino)phenyl]methyl]-2-oxidanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one Openeye Name: 3-[cyclopropyl-[3-(cyclopropylmethylamino)phenyl]methyl]-2-hydroxy-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one CAS Name: 3-[cyclopropyl-[3-(cyclopropylmethylamino)phenyl]methyl]-2-hydroxy-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one IUPAC Name: 3-[cyclopropyl-[3-(cyclopropylmethylamino)phenyl]methyl]-2-hydroxy-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one Traditional Name: 3-[cyclopropyl-[3-(cyclopropylmethylamino)phenyl]methyl]-2-hydroxy-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NCC5CC5

Isomeric SMILES

C1CCCC2=C(CC1)C(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NCC5CC5

InChI

InChI=1S/C25H31NO3/c27-24-20-8-3-1-2-4-9-21(20)29-25(28)23(24)22(17-12-13-17)18-6-5-7-19(14-18)26-15-16-10-11-16/h5-7,14,16-17,22,26,28H,1-4,8-13,15H2