1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-4-(4-propoxyphenyl)butane-1,4-dione IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-4-(4-propoxyphenyl)butane-1,4-dione Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C26H31NO5/c1-2-15-30-21-9-6-19(7-10-21)23(28)11-13-26(29)27-14-3-5-22(27)20-8-12-24-25(18-20)32-17-4-16-31-24/h6-10,12,18,22H,2-5,11,13-17H2,1H3