8-(azepan-1-ylmethyl)-3-(4-methoxyphenyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(4-methoxyphenyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 8-(azepan-1-ylmethyl)-4-hydroxy-3-(4-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 8-(1-azepanylmethyl)-4-hydroxy-3-(4-methoxyphenyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 8-(azepan-1-ylmethyl)-4-hydroxy-3-(4-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 8-(azepan-1-ylmethyl)-4-hydroxy-3-(4-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=COC3C(C(=O)CCC3=C2O)CN4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3C(C(=O)CCC3=C2O)CN4CCCCCC4

InChI

InChI=1S/C23H29NO4/c1-27-17-8-6-16(7-9-17)20-15-28-23-18(22(20)26)10-11-21(25)19(23)14-24-12-4-2-3-5-13-24/h6-9,15,19,23,26H,2-5,10-14H2,1H3