[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(3-methyl-4-propan-2-yl-phenoxy)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(4-isopropyl-3-methyl-phenoxy)acetate CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)C(C)C

InChI

InChI=1S/C23H27NO6/c1-15(2)19-7-6-18(11-16(19)3)29-14-23(26)30-13-22(25)24-17-5-8-20-21(12-17)28-10-4-9-27-20/h5-8,11-12,15H,4,9-10,13-14H2,1-3H3,(H,24,25)